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

Systemtic Name: methyl 3-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-[(3-iodanylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-[(3-iodophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-[(3-iodophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-[(3-iodophenyl)methyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(3-iodobenzyl)amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C27H23ClINO4S2 MolecularWeight: 651.96329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(CC2=CC(=CC=C2)I)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N(CC2=CC(=CC=C2)I)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H23ClINO4S2/c1-17-13-25(18(2)12-22(17)28)36(32,33)30(16-19-8-7-11-21(29)14-19)23-15-24(20-9-5-4-6-10-20)35-26(23)27(31)34-3/h4-15H,16H2,1-3H3