N-cyclopropyl-4-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-cyclopropyl-4-methyl-benzenesulfonamide CAS Name: N-cyclopropyl-4-methyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-cyclopropyl-4-methylbenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-cyclopropyl-4-methyl-benzenesulfonamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-18-8-11-21(30(28,29)24-20-9-10-20)16-22(18)23(27)26-13-5-12-25(14-15-26)17-19-6-3-2-4-7-19/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3