N-[4-[[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(4-pyridin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-[4-[[4-[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-6-(4-pyridin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-[4-[[4-[(3S,5R)-3,5-diamino-1-piperidyl]-6-[4-(4-pyridyl)-1-piperidyl]-1,3,5-triazin-2-yl]amino]-2-hydroxy-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[4-[(3S,5R)-3,5-diamino-1-piperidinyl]-6-(4-pyridin-4-yl-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-4-methyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[4-[[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-4-ylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-4-methylbenzenesulfonamide Traditional Name: N-benzyl-N-[4-[[4-[(3S,5R)-3,5-diaminopiperidino]-6-[4-(4-pyridyl)piperidino]-s-triazin-2-yl]amino]-2-hydroxy-phenyl]-4-methyl-benzenesulfonamide Formula: C38H44N10O3S MolecularWeight: 720.88616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N5CC(CC(C5)N)N)N6CCC(CC6)C7=CC=NC=C7)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N5C[C@@H](C[C@@H](C5)N)N)N6CCC(CC6)C7=CC=NC=C7)O

InChI

InChI=1S/C38H44N10O3S/c1-26-7-10-33(11-8-26)52(50,51)48(23-27-5-3-2-4-6-27)34-12-9-32(22-35(34)49)42-36-43-37(45-38(44-36)47-24-30(39)21-31(40)25-47)46-19-15-29(16-20-46)28-13-17-41-18-14-28/h2-14,17-18,22,29-31,49H,15-16,19-21,23-25,39-40H2,1H3,(H,42,43,44,45)/t30-,31+