4-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(4-tosyl-1,4-diazepan-1-yl)butan-1-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O3S/c1-19-10-12-21(13-11-19)31(29,30)27-15-5-14-26(16-17-27)24(28)9-4-6-20-18-25-23-8-3-2-7-22(20)23/h2-3,7-8,10-13,18,25H,4-6,9,14-17H2,1H3