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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(4-phenylpiperazino)methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S/c1-31-23-12-11-21(32(29,30)27-13-7-2-3-8-14-27)19-22(23)24(28)26-17-15-25(16-18-26)20-9-5-4-6-10-20/h4-6,9-12,19H,2-3,7-8,13-18H2,1H3