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

Systemtic Name: 3,4-dimethoxy-N-[3-[(4-phenethyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[3-[oxo-(4-phenethyl-1,4-diazepan-1-yl)methyl]phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H33N3O5S/c1-35-26-13-12-25(21-27(26)36-2)37(33,34)29-24-11-6-10-23(20-24)28(32)31-16-7-15-30(18-19-31)17-14-22-8-4-3-5-9-22/h3-6,8-13,20-21,29H,7,14-19H2,1-2H3