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

Systemtic Name: N-[3-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[3-[(4-ethyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c1-2-23-9-4-10-24(12-11-23)21(25)16-5-3-6-17(13-16)22-30(26,27)18-7-8-19-20(14-18)29-15-28-19/h3,5-8,13-14,22H,2,4,9-12,15H2,1H3