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

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3S/c1-18-7-10-20(11-8-18)30(28,29)26-14-4-13-25(15-16-26)23(27)12-9-19-17-24-22-6-3-2-5-21(19)22/h2-3,5-8,10-11,17,24H,4,9,12-16H2,1H3