N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(4-methyl-N-tosyl-anilino)propionamide Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H26N2O6S/c1-17-4-8-20(9-5-17)28(35(31,32)21-10-6-18(2)7-11-21)13-12-26(30)27-23-15-25-24(33-16-34-25)14-22(23)19(3)29/h4-11,14-15H,12-13,16H2,1-3H3,(H,27,30)