N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]phenyl]-4-phenyl-benzenesulfonamide

Systemtic Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)carbonyl]phenyl]-4-phenyl-benzenesulfonamide Openeye Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-4-phenyl-benzenesulfonamide CAS Name: N-[3-[(2-butyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-4-phenylbenzenesulfonamide IUPAC Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-4-phenylbenzenesulfonamide Traditional Name: N-[3-(2-butyl-1,4-diazepane-1-carbonyl)phenyl]-4-phenyl-benzenesulfonamide Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S/c1-2-3-13-26-21-29-18-8-19-31(26)28(32)24-11-7-12-25(20-24)30-35(33,34)27-16-14-23(15-17-27)22-9-5-4-6-10-22/h4-7,9-12,14-17,20,26,29-30H,2-3,8,13,18-19,21H2,1H3