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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(3-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(3-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(N-mesyl-3-methyl-anilino)butyramide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-14-5-3-6-16(11-14)21(27(2,23)24)10-4-7-19(22)20-15-8-9-17-18(12-15)26-13-25-17/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,20,22)