1-(4-chlorophenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-2-methyl-indole-5-sulfonic acid

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[(4-methoxyphenyl)methyl]-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(4-chlorobenzoyl)-3-[(4-methoxyphenyl)methyl]-2-methyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(4-methoxyphenyl)methyl]-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-[(4-methoxyphenyl)methyl]-2-methylindole-5-sulfonic acid Traditional Name: 1-(4-chlorobenzoyl)-2-methyl-3-p-anisyl-indole-5-sulfonic acid Formula: C24H20ClNO5S MolecularWeight: 469.9373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)S(=O)(=O)O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)S(=O)(=O)O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H20ClNO5S/c1-15-21(13-16-3-9-19(31-2)10-4-16)22-14-20(32(28,29)30)11-12-23(22)26(15)24(27)17-5-7-18(25)8-6-17/h3-12,14H,13H2,1-2H3,(H,28,29,30)