methyl 5-[2-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3,4-dimethoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O7S2/c1-23(32(26,27)15-6-7-16(28-2)17(11-15)29-3)12-20(24)22-14-5-8-18-13(9-14)10-19(31-18)21(25)30-4/h5-11H,12H2,1-4H3,(H,22,24)