N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoranylethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-(dimethylamino)-3-phenyl-propan-2-yl]amino]pyridine-3-sulfonamide

Systemtic Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoranylethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-4-[[(2S)-1-(dimethylamino)-3-phenyl-propan-2-yl]amino]pyridine-3-sulfonamide Openeye Name: N-[(1S)-1-[(4-aminophenyl)methyl]-2-[4-(2-fluoroethyl)-1-piperidyl]-2-oxo-ethyl]-4-[[(1S)-1-benzyl-2-(dimethylamino)ethyl]amino]pyridine-3-sulfonamide CAS Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)-1-piperidinyl]-1-oxopropan-2-yl]-4-[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]amino]-3-pyridinesulfonamide IUPAC Name: N-[(2S)-3-(4-aminophenyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-[[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]amino]pyridine-3-sulfonamide Traditional Name: N-[(1S)-1-(4-aminobenzyl)-2-[4-(2-fluoroethyl)piperidino]-2-keto-ethyl]-4-[[(1S)-1-benzyl-2-(dimethylamino)ethyl]amino]pyridine-3-sulfonamide Formula: C32H43FN6O3S MolecularWeight: 610.785623

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CC1=CC=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(CC3=CC=C(C=C3)N)C(=O)N4CCC(CC4)CCF

Isomeric SMILES

CN(C)C[C@H](CC1=CC=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N[C@@H](CC3=CC=C(C=C3)N)C(=O)N4CCC(CC4)CCF

InChI

InChI=1S/C32H43FN6O3S/c1-38(2)23-28(20-25-6-4-3-5-7-25)36-29-13-17-35-22-31(29)43(41,42)37-30(21-26-8-10-27(34)11-9-26)32(40)39-18-14-24(12-16-33)15-19-39/h3-11,13,17,22,24,28,30,37H,12,14-16,18-21,23,34H2,1-2H3,(H,35,36)/t28-,30-/m0/s1