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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-20-9-8-10-24(21(20)2)27-15-17-28(18-16-27)26(30)23-19-22(11-12-25(23)33-3)34(31,32)29-13-6-4-5-7-14-29/h8-12,19H,4-7,13-18H2,1-3H3