N-(2-chlorophenyl)-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O3S/c26-23-12-4-5-13-24(23)27-33(31,32)22-11-6-10-21(18-22)25(30)29-15-7-14-28(16-17-29)19-20-8-2-1-3-9-20/h1-6,8-13,18,27H,7,14-17,19H2