methyl 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-methylamino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-methylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20ClNO4S2/c1-13-11-19(14(2)10-16(13)22)29(25,26)23(3)17-12-18(15-8-6-5-7-9-15)28-20(17)21(24)27-4/h5-12H,1-4H3