N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[3-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[3-[oxo-(4-propyl-1,4-diazepan-1-yl)methyl]phenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-(4-propyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5S/c1-2-9-24-10-4-11-25(13-12-24)22(26)17-5-3-6-18(14-17)23-31(27,28)19-7-8-20-21(15-19)30-16-29-20/h3,5-8,14-15,23H,2,4,9-13,16H2,1H3