2-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1H-indol-3-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(1H-indol-3-yl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S/c1-17-7-9-19(10-8-17)29(27,28)25-12-4-11-24(13-14-25)22(26)15-18-16-23-21-6-3-2-5-20(18)21/h2-3,5-10,16,23H,4,11-15H2,1H3