ethyl 4-[[4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(3-mesyl-6,7-dihydroisobenzothiophene-1-carbonyl)amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H34N4O6S2 MolecularWeight: 538.67996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C

InChI

InChI=1S/C24H34N4O6S2/c1-3-34-23(31)28-14-8-16(9-15-28)26-22(30)24(10-12-25-13-11-24)27-20(29)19-17-6-4-5-7-18(17)21(35-19)36(2,32)33/h5,7,16,25H,3-4,6,8-15H2,1-2H3,(H,26,30)(H,27,29)