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

Systemtic Name: N-[3-[(4-butyl-1,4-diazepan-1-yl)carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[3-(4-butyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[3-[(4-butyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[3-(4-butyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-(4-butyl-1,4-diazepane-1-carbonyl)phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O5S/c1-2-3-10-25-11-5-12-26(14-13-25)23(27)18-6-4-7-19(15-18)24-32(28,29)20-8-9-21-22(16-20)31-17-30-21/h4,6-9,15-16,24H,2-3,5,10-14,17H2,1H3