N-[5-[(4-butyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[5-[(4-butyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(4-butyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-[(4-butyl-1,4-diazepan-1-yl)-oxomethyl]-2-methylphenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(4-butyl-1,4-diazepane-1-carbonyl)-2-methylphenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(4-butyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-3-4-10-26-11-5-12-27(14-13-26)24(28)19-7-6-18(2)21(15-19)25-33(29,30)20-8-9-22-23(16-20)32-17-31-22/h6-9,15-16,25H,3-5,10-14,17H2,1-2H3