N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-(4-p-anisyl-1,4-diazepane-1-carbonyl)phenyl]methanesulfonamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S/c1-28-20-9-7-17(8-10-20)16-23-11-4-12-24(14-13-23)21(25)18-5-3-6-19(15-18)22-29(2,26)27/h3,5-10,15,22H,4,11-14,16H2,1-2H3