methyl 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(N-mesyl-4-methyl-anilino)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-5-17(24(31(4,27)28)15-12-10-14(2)11-13-15)20(25)23-21-19(22(26)29-3)16-8-6-7-9-18(16)30-21/h10-13,17H,5-9H2,1-4H3,(H,23,25)