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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-thenyl)piperazino]methanone Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H31N3O4S2/c1-30-22-9-8-20(32(28,29)26-10-4-2-3-5-11-26)17-21(22)23(27)25-14-12-24(13-15-25)18-19-7-6-16-31-19/h6-9,16-17H,2-5,10-15,18H2,1H3