[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(1H-indol-3-yl)ethanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CNC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-18-10-11-20(15-23(18)34(31,32)28-12-6-2-3-7-13-28)27-24(29)17-33-25(30)14-19-16-26-22-9-5-4-8-21(19)22/h4-5,8-11,15-16,26H,2-3,6-7,12-14,17H2,1H3,(H,27,29)