4-[3-[[1-[4-(octylcarbamoylamino)phenyl]sulfonylpiperidin-4-yl]methylamino]-2-oxidanyl-propoxy]-1H-indole-2-carboxamide

Systemtic Name: 4-[3-[[1-[4-(octylcarbamoylamino)phenyl]sulfonylpiperidin-4-yl]methylamino]-2-oxidanyl-propoxy]-1H-indole-2-carboxamide Openeye Name: 4-[2-hydroxy-3-[[1-[4-(octylcarbamoylamino)phenyl]sulfonyl-4-piperidyl]methylamino]propoxy]-1H-indole-2-carboxamide CAS Name: 4-[2-hydroxy-3-[[1-[4-[[(octylamino)-oxomethyl]amino]phenyl]sulfonyl-4-piperidinyl]methylamino]propoxy]-1H-indole-2-carboxamide IUPAC Name: 4-[2-hydroxy-3-[[1-[4-(octylcarbamoylamino)phenyl]sulfonylpiperidin-4-yl]methylamino]propoxy]-1H-indole-2-carboxamide Traditional Name: 4-[2-hydroxy-3-[[1-[4-(octylcarbamoylamino)phenyl]sulfonyl-4-piperidyl]methylamino]propoxy]-1H-indole-2-carboxamide Formula: C33H48N6O6S MolecularWeight: 656.83582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CNCC(COC3=CC=CC4=C3C=C(N4)C(=O)N)O

Isomeric SMILES

CCCCCCCCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CNCC(COC3=CC=CC4=C3C=C(N4)C(=O)N)O

InChI

InChI=1S/C33H48N6O6S/c1-2-3-4-5-6-7-17-36-33(42)37-25-11-13-27(14-12-25)46(43,44)39-18-15-24(16-19-39)21-35-22-26(40)23-45-31-10-8-9-29-28(31)20-30(38-29)32(34)41/h8-14,20,24,26,35,38,40H,2-7,15-19,21-23H2,1H3,(H2,34,41)(H2,36,37,42)