3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(o-tolyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(2-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(o-tolyl)piperazino]propan-1-one Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-22-8-4-5-9-25(22)27-18-20-28(21-19-27)26(30)15-12-23-10-13-24(14-11-23)33(31,32)29-16-6-2-3-7-17-29/h4-5,8-11,13-14H,2-3,6-7,12,15-21H2,1H3