4-chloranyl-2,5-dimethyl-N-[3-[(4-phenethyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[3-[(4-phenethyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide Openeye Name: 4-chloro-2,5-dimethyl-N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-chloro-2,5-dimethyl-N-[3-[oxo-(4-phenethyl-1,4-diazepan-1-yl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-chloro-2,5-dimethyl-N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-chloro-2,5-dimethyl-N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Formula: C28H32ClN3O3S MolecularWeight: 526.08998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32ClN3O3S/c1-21-19-27(22(2)18-26(21)29)36(34,35)30-25-11-6-10-24(20-25)28(33)32-14-7-13-31(16-17-32)15-12-23-8-4-3-5-9-23/h3-6,8-11,18-20,30H,7,12-17H2,1-2H3