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

Systemtic Name: N-[5-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-(4-ethyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-[(4-ethyl-1,4-diazepan-1-yl)-oxomethyl]-2-methylphenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-(4-ethyl-1,4-diazepane-1-carbonyl)-2-methylphenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-(4-ethyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-3-24-9-4-10-25(12-11-24)22(26)17-6-5-16(2)19(13-17)23-31(27,28)18-7-8-20-21(14-18)30-15-29-20/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3