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

Systemtic Name: 4-chloranyl-N,N-diethyl-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 4-chloro-N,N-diethyl-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-chloro-N,N-diethyl-benzenesulfonamide Formula: C23H30ClN3O3S MolecularWeight: 464.0206

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O3S/c1-3-27(4-2)31(29,30)20-11-12-22(24)21(17-20)23(28)26-14-8-13-25(15-16-26)18-19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16,18H2,1-2H3