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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-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)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

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