4-methoxy-N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-methoxy-N-[3-[oxo-(4-propyl-1,4-diazepan-1-yl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-3-12-24-13-5-14-25(16-15-24)22(26)18-6-4-7-19(17-18)23-30(27,28)21-10-8-20(29-2)9-11-21/h4,6-11,17,23H,3,5,12-16H2,1-2H3