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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-ethyl-2-methyl-indole-5-sulfonic acid Openeye Name: 1-(4-chlorobenzoyl)-3-ethyl-2-methyl-indole-5-sulfonic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-ethyl-2-methyl-5-indolesulfonic acid IUPAC Name: 1-(4-chlorobenzoyl)-3-ethyl-2-methylindole-5-sulfonic acid Traditional Name: 1-(4-chlorobenzoyl)-3-ethyl-2-methyl-indole-5-sulfonic acid Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H16ClNO4S/c1-3-15-11(2)20(18(21)12-4-6-13(19)7-5-12)17-9-8-14(10-16(15)17)25(22,23)24/h4-10H,3H2,1-2H3,(H,22,23,24)