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

Systemtic Name: 4-chloranyl-N,N-diethyl-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-chloro-N,N-diethyl-3-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N,N-diethyl-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-chloro-N,N-diethyl-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N,N-diethyl-3-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C24H32ClN3O3S MolecularWeight: 478.04718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C24H32ClN3O3S/c1-4-28(5-2)32(30,31)21-11-12-23(25)22(17-21)24(29)27-14-8-13-26(15-16-27)18-20-10-7-6-9-19(20)3/h6-7,9-12,17H,4-5,8,13-16,18H2,1-3H3