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

Systemtic Name: N-[4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide CAS Name: N-[4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c29-25(28-17-7-16-27(18-19-28)20-21-8-3-1-4-9-21)22-12-14-23(15-13-22)26-32(30,31)24-10-5-2-6-11-24/h1-6,8-15,26H,7,16-20H2