3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C23H27N3O3S/c1-3-12-24-30(28,29)22-11-6-10-20(17-22)23(27)26-14-7-13-25(15-16-26)18-21-9-5-4-8-19(21)2/h1,4-6,8-11,17,24H,7,12-16,18H2,2H3