1-(4-chlorophenyl)carbonyl-3-(4-methoxy-4-oxidanylidene-butyl)-2-methyl-indole-5-sulfonic acid

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-(4-methoxy-4-oxidanylidene-butyl)-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(4-chlorobenzoyl)-3-(4-methoxy-4-oxo-butyl)-2-methyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-(4-methoxy-4-oxobutyl)-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-(4-methoxy-4-oxobutyl)-2-methylindole-5-sulfonic acid Traditional Name: 1-(4-chlorobenzoyl)-3-(4-keto-4-methoxy-butyl)-2-methyl-indole-5-sulfonic acid Formula: C21H20ClNO6S MolecularWeight: 449.9046

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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)CCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO6S/c1-13-17(4-3-5-20(24)29-2)18-12-16(30(26,27)28)10-11-19(18)23(13)21(25)14-6-8-15(22)9-7-14/h6-12H,3-5H2,1-2H3,(H,26,27,28)