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

Systemtic Name: N,N-diethyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H33N3O3S/c1-4-27(5-2)31(29,30)23-9-6-8-22(18-23)24(28)26-15-7-14-25(16-17-26)19-21-12-10-20(3)11-13-21/h6,8-13,18H,4-5,7,14-17,19H2,1-3H3