[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H33N3O4S/c1-20-11-12-21(33(30,31)28-13-7-3-4-8-14-28)19-22(20)25(29)27-17-15-26(16-18-27)23-9-5-6-10-24(23)32-2/h5-6,9-12,19H,3-4,7-8,13-18H2,1-2H3