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

Systemtic Name: 3,4-dimethoxy-N-[3-[(2-octan-4-yl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[3-[2-(1-propylpentyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[3-[(2-octan-4-yl-1,4-diazepan-1-yl)-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[3-(2-octan-4-yl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[3-[2-(1-propylpentyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Formula: C28H41N3O5S MolecularWeight: 531.70724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCC(CCC)C1CNCCCN1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H41N3O5S/c1-5-7-11-21(10-6-2)25-20-29-16-9-17-31(25)28(32)22-12-8-13-23(18-22)30-37(33,34)24-14-15-26(35-3)27(19-24)36-4/h8,12-15,18-19,21,25,29-30H,5-7,9-11,16-17,20H2,1-4H3