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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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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=C(C=CC(=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O3S/c1-19-8-10-22(33(31,32)29-11-5-3-4-6-12-29)18-23(19)25(30)28-15-13-27(14-16-28)24-17-21(26)9-7-20(24)2/h7-10,17-18H,3-6,11-16H2,1-2H3