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

Systemtic Name: 4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-4-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-4-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-3-13-24-30(28,29)22-11-9-20(10-12-22)23(27)26-15-6-14-25(16-17-26)18-21-8-5-4-7-19(21)2/h3-5,7-12,24H,1,6,13-18H2,2H3