2-[1-[3-(dimethylamino)-2-methyl-phenyl]carbonyl-5-(2-ethanoylphenyl)-2-methyl-indol-3-yl]sulfonylbenzoic acid

Systemtic Name: 2-[1-[3-(dimethylamino)-2-methyl-phenyl]carbonyl-5-(2-ethanoylphenyl)-2-methyl-indol-3-yl]sulfonylbenzoic acid Openeye Name: 2-[5-(2-acetylphenyl)-1-[3-(dimethylamino)-2-methyl-benzoyl]-2-methyl-indol-3-yl]sulfonylbenzoic acid CAS Name: 2-[[5-(2-acetylphenyl)-1-[[3-(dimethylamino)-2-methylphenyl]-oxomethyl]-2-methyl-3-indolyl]sulfonyl]benzoic acid IUPAC Name: 2-[5-(2-acetylphenyl)-1-[3-(dimethylamino)-2-methylbenzoyl]-2-methylindol-3-yl]sulfonylbenzoic acid Traditional Name: 2-[5-(2-acetylphenyl)-1-[3-(dimethylamino)-2-methyl-benzoyl]-2-methyl-indol-3-yl]sulfonylbenzoic acid Formula: C34H30N2O6S MolecularWeight: 594.6768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(C)C)C(=O)N2C(=C(C3=C2C=CC(=C3)C4=CC=CC=C4C(=O)C)S(=O)(=O)C5=CC=CC=C5C(=O)O)C

Isomeric SMILES

CC1=C(C=CC=C1N(C)C)C(=O)N2C(=C(C3=C2C=CC(=C3)C4=CC=CC=C4C(=O)C)S(=O)(=O)C5=CC=CC=C5C(=O)O)C

InChI

InChI=1S/C34H30N2O6S/c1-20-24(14-10-15-29(20)35(4)5)33(38)36-21(2)32(43(41,42)31-16-9-8-13-27(31)34(39)40)28-19-23(17-18-30(28)36)26-12-7-6-11-25(26)22(3)37/h6-19H,1-5H3,(H,39,40)