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

Systemtic Name: 4-chloranyl-N,N-dimethyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-chloro-N,N-dimethyl-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N,N-dimethyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-chloro-N,N-dimethyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N,N-dimethyl-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-17-5-7-18(8-6-17)16-25-11-4-12-26(14-13-25)22(27)20-15-19(9-10-21(20)23)30(28,29)24(2)3/h5-10,15H,4,11-14,16H2,1-3H3