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

Systemtic Name: N-[5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[5-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[5-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]-2-methylphenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[5-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]-2-methylphenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[5-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]-2-methyl-phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3CC3)NS(=O)(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3CC3)NS(=O)(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O5S/c1-17-3-6-19(24(28)27-10-2-9-26(11-12-27)15-18-4-5-18)13-21(17)25-33(29,30)20-7-8-22-23(14-20)32-16-31-22/h3,6-8,13-14,18,25H,2,4-5,9-12,15-16H2,1H3