methyl 2-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-methoxyphenyl)sulfonyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O6S2/c1-22(30(25,26)14-10-8-13(27-2)9-11-14)12-17(23)21-19-18(20(24)28-3)15-6-4-5-7-16(15)29-19/h8-11H,4-7,12H2,1-3H3,(H,21,23)