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

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: N-prop-2-ynyl-4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-(4-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=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

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