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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3S/c1-20-9-7-12-24(21(20)2)26-15-17-27(18-16-26)25(29)22-10-8-11-23(19-22)32(30,31)28-13-5-3-4-6-14-28/h7-12,19H,3-6,13-18H2,1-2H3