methyl 5-[[2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H23ClN2O6S2 MolecularWeight: 559.05362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OC)Cl

InChI

InChI=1S/C26H23ClN2O6S2/c1-34-22-10-9-19(15-20(22)27)37(32,33)29-21(12-16-6-4-3-5-7-16)25(30)28-18-8-11-23-17(13-18)14-24(36-23)26(31)35-2/h3-11,13-15,21,29H,12H2,1-2H3,(H,28,30)