1-(azepan-1-yl)-2-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-chloranyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(3-chloro-4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4-methyl-phenyl)sulfonylpiperazino]ethanone Formula: C19H28ClN3O3S MolecularWeight: 413.96192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c1-16-6-7-17(14-18(16)20)27(25,26)23-12-10-21(11-13-23)15-19(24)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13,15H2,1H3