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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(2-hydroxyphenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-hydroxyphenyl)piperazino]methanone Formula: C24H31N3O5S MolecularWeight: 473.58504

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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=C4O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C24H31N3O5S/c1-32-23-11-10-19(33(30,31)27-12-6-2-3-7-13-27)18-20(23)24(29)26-16-14-25(15-17-26)21-8-4-5-9-22(21)28/h4-5,8-11,18,28H,2-3,6-7,12-17H2,1H3