1-(4-chlorophenyl)carbonyl-2-methyl-3-(phenylmethyl)indole-5-sulfonic acid

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-methyl-3-(phenylmethyl)indole-5-sulfonic acid Openeye Name: 3-benzyl-1-(4-chlorobenzoyl)-2-methyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-2-methyl-3-(phenylmethyl)-5-indolesulfonic acid IUPAC Name: 3-benzyl-1-(4-chlorobenzoyl)-2-methylindole-5-sulfonic acid Traditional Name: 3-benzyl-1-(4-chlorobenzoyl)-2-methyl-indole-5-sulfonic acid Formula: C23H18ClNO4S MolecularWeight: 439.91132

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClNO4S/c1-15-20(13-16-5-3-2-4-6-16)21-14-19(30(27,28)29)11-12-22(21)25(15)23(26)17-7-9-18(24)10-8-17/h2-12,14H,13H2,1H3,(H,27,28,29)