N-[3-[2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[3-[2-(4-methoxyphenyl)azepan-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[3-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]methanesulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-27-19-12-10-16(11-13-19)20-9-4-3-5-14-23(20)21(24)17-7-6-8-18(15-17)22-28(2,25)26/h6-8,10-13,15,20,22H,3-5,9,14H2,1-2H3