3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide CAS Name: 3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-2-12-23-29(27,28)21-11-6-10-20(17-21)22(26)25-14-7-13-24(15-16-25)18-19-8-4-3-5-9-19/h2-6,8-11,17,23H,1,7,12-16,18H2