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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(3-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(3-methoxyphenyl)piperazino]methanone Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H33N3O5S/c1-32-21-9-7-8-20(18-21)26-14-16-27(17-15-26)25(29)23-19-22(10-11-24(23)33-2)34(30,31)28-12-5-3-4-6-13-28/h7-11,18-19H,3-6,12-17H2,1-2H3