N-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-N-(5-chloranyl-2-methyl-phenyl)methanesulfonamide

Systemtic Name: N-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-N-(5-chloranyl-2-methyl-phenyl)methanesulfonamide Openeye Name: N-[4-(azepan-1-yl)-4-oxo-butyl]-N-(5-chloro-2-methyl-phenyl)methanesulfonamide CAS Name: N-[4-(1-azepanyl)-4-oxobutyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide IUPAC Name: N-[4-(azepan-1-yl)-4-oxobutyl]-N-(5-chloro-2-methylphenyl)methanesulfonamide Traditional Name: N-[4-(azepan-1-yl)-4-keto-butyl]-N-(5-chloro-2-methyl-phenyl)methanesulfonamide Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H27ClN2O3S/c1-15-9-10-16(19)14-17(15)21(25(2,23)24)13-7-8-18(22)20-11-5-3-4-6-12-20/h9-10,14H,3-8,11-13H2,1-2H3