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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(4-benzylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-benzylpiperazino)methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-32-23-12-11-22(19-24(23)33(30,31)28-13-7-2-3-8-14-28)25(29)27-17-15-26(16-18-27)20-21-9-5-4-6-10-21/h4-6,9-12,19H,2-3,7-8,13-18,20H2,1H3