methyl 5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate CAS Name: 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxylic acid methyl ester Formula: C18H16ClNO4S MolecularWeight: 377.84194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC)C

InChI

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