4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(m-tolylmethyl)butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3-methylbenzyl)butyramide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-15-5-3-6-16(11-15)13-21-20(23)7-4-10-22(28(2,24)25)17-8-9-18-19(12-17)27-14-26-18/h3,5-6,8-9,11-12H,4,7,10,13-14H2,1-2H3,(H,21,23)