7-azanyl-N-[1-(1H-indol-3-ylamino)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]heptanamide

Systemtic Name: 7-azanyl-N-[1-(1H-indol-3-ylamino)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]heptanamide Openeye Name: 7-amino-N-[1-(1H-indol-3-ylcarbamoyl)-3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]heptanamide CAS Name: 7-amino-N-[1-(1H-indol-3-ylamino)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1,4-dioxobutan-2-yl]heptanamide IUPAC Name: 7-amino-N-[1-(1H-indol-3-ylamino)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,4-dioxobutan-2-yl]heptanamide Traditional Name: 7-amino-N-[1-(1H-indol-3-ylcarbamoyl)-3-keto-3-(4-tosylpiperazino)propyl]enanthamide Formula: C30H40N6O5S MolecularWeight: 596.7408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C(=O)NC3=CNC4=CC=CC=C43)NC(=O)CCCCCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C(=O)NC3=CNC4=CC=CC=C43)NC(=O)CCCCCCN

InChI

InChI=1S/C30H40N6O5S/c1-22-11-13-23(14-12-22)42(40,41)36-18-16-35(17-19-36)29(38)20-26(33-28(37)10-4-2-3-7-15-31)30(39)34-27-21-32-25-9-6-5-8-24(25)27/h5-6,8-9,11-14,21,26,32H,2-4,7,10,15-20,31H2,1H3,(H,33,37)(H,34,39)