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

Systemtic Name: methyl 2-[[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-methoxy-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-methoxy-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-methoxy-5-(4-methylpiperidino)sulfonyl-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H30N2O6S2 MolecularWeight: 506.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C24H30N2O6S2/c1-15-10-12-26(13-11-15)34(29,30)16-8-9-19(31-2)18(14-16)22(27)25-23-21(24(28)32-3)17-6-4-5-7-20(17)33-23/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,25,27)