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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[(4-hydroxyphenyl)methyl]-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(4-chlorobenzoyl)-3-[(4-hydroxyphenyl)methyl]-2-methyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(4-hydroxyphenyl)methyl]-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-[(4-hydroxyphenyl)methyl]-2-methylindole-5-sulfonic acid Traditional Name: 1-(4-chlorobenzoyl)-3-(4-hydroxybenzyl)-2-methyl-indole-5-sulfonic acid Formula: C23H18ClNO5S MolecularWeight: 455.91072

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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)O

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)O

InChI

InChI=1S/C23H18ClNO5S/c1-14-20(12-15-2-8-18(26)9-3-15)21-13-19(31(28,29)30)10-11-22(21)25(14)23(27)16-4-6-17(24)7-5-16/h2-11,13,26H,12H2,1H3,(H,28,29,30)