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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2,3-dimethylphenyl)piperazino]propan-1-one Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C27H37N3O3S/c1-22-8-7-9-26(23(22)2)28-18-20-29(21-19-28)27(31)15-12-24-10-13-25(14-11-24)34(32,33)30-16-5-3-4-6-17-30/h7-11,13-14H,3-6,12,15-21H2,1-2H3