[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H30N2O5S2/c1-16-6-9-19-20(15-32-21(19)12-16)24(28)31-14-23(27)25-18-8-7-17(2)22(13-18)33(29,30)26-10-4-3-5-11-26/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,25,27)/t16-/m1/s1