ethyl 2-[[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-methyl-5-(4-methylpiperidino)sulfonyl-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C)C

InChI

InChI=1S/C25H32N2O5S2/c1-4-32-25(29)22-19-7-5-6-8-21(19)33-24(22)26-23(28)20-15-18(10-9-17(20)3)34(30,31)27-13-11-16(2)12-14-27/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,26,28)