N-[5-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-methyl-phenyl]methanesulfonamide

Systemtic Name: N-[5-[2-(4-methoxyphenyl)azepan-1-yl]carbonyl-2-methyl-phenyl]methanesulfonamide Openeye Name: N-[5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methyl-phenyl]methanesulfonamide CAS Name: N-[5-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]-2-methylphenyl]methanesulfonamide IUPAC Name: N-[5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylphenyl]methanesulfonamide Traditional Name: N-[5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methyl-phenyl]methanesulfonamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2C3=CC=C(C=C3)OC)NS(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-16-8-9-18(15-20(16)23-29(3,26)27)22(25)24-14-6-4-5-7-21(24)17-10-12-19(28-2)13-11-17/h8-13,15,21,23H,4-7,14H2,1-3H3