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

Systemtic Name: 4-chloranyl-N-[3-[(2-heptan-4-yl-1,4-diazepan-1-yl)carbonyl]phenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: 4-chloro-2,5-dimethyl-N-[3-[2-(1-propylbutyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[3-[(2-heptan-4-yl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(2-heptan-4-yl-1,4-diazepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: 4-chloro-2,5-dimethyl-N-[3-[2-(1-propylbutyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Formula: C27H38ClN3O3S MolecularWeight: 520.12692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

Isomeric SMILES

CCCC(CCC)C1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)C

InChI

InChI=1S/C27H38ClN3O3S/c1-5-9-21(10-6-2)25-18-29-13-8-14-31(25)27(32)22-11-7-12-23(17-22)30-35(33,34)26-16-19(3)24(28)15-20(26)4/h7,11-12,15-17,21,25,29-30H,5-6,8-10,13-14,18H2,1-4H3