N-[[5-[2-(butylamino)-2-oxidanylidene-ethyl]-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide

Systemtic Name: N-[[5-[2-(butylamino)-2-oxidanylidene-ethyl]-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: N-[[1-allyl-5-[2-(butylamino)-2-oxo-ethyl]indol-3-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide CAS Name: N-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enyl-3-indolyl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: N-[[5-[2-(butylamino)-2-oxoethyl]-1-prop-2-enylindol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: N-[[1-allyl-5-[2-(butylamino)-2-keto-ethyl]indol-3-yl]methyl]-3-methoxy-N-(o-tolylsulfonyl)benzamide Formula: C33H37N3O5S MolecularWeight: 587.72898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1=CC2=C(C=C1)N(C=C2CN(C(=O)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4C)CC=C

Isomeric SMILES

CCCCNC(=O)CC1=CC2=C(C=C1)N(C=C2CN(C(=O)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4C)CC=C

InChI

InChI=1S/C33H37N3O5S/c1-5-7-17-34-32(37)20-25-15-16-30-29(19-25)27(22-35(30)18-6-2)23-36(33(38)26-12-10-13-28(21-26)41-4)42(39,40)31-14-9-8-11-24(31)3/h6,8-16,19,21-22H,2,5,7,17-18,20,23H2,1,3-4H3,(H,34,37)