3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(p-tolylsulfonylamino)ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(tosylamino)ethyl]-1-methyl-indole-6-carboxylic acid Formula: C26H22N2O7S MolecularWeight: 506.52708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(C2=CC3=C(C=C2)OCO3)C4=CN(C5=C4C=CC(=C5)C(=O)O)C

InChI

InChI=1S/C26H22N2O7S/c1-15-3-7-18(8-4-15)36(32,33)27-25(29)24(16-6-10-22-23(12-16)35-14-34-22)20-13-28(2)21-11-17(26(30)31)5-9-19(20)21/h3-13,24H,14H2,1-2H3,(H,27,29)(H,30,31)