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

Systemtic Name: N-(3-chlorophenyl)-3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(3-chlorophenyl)benzenesulfonamide CAS Name: N-(3-chlorophenyl)-3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(3-chlorophenyl)benzenesulfonamide Traditional Name: 3-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(3-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=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

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