[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 1-[(1-methylsulfonyl-4-piperidyl)carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[(1-methylsulfonyl-4-piperidinyl)amino]-oxomethyl]-4-piperidinecarboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-[(1-methylsulfonylpiperidin-4-yl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[(1-mesyl-4-piperidyl)carbamoyl]isonipecotic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C21H31N5O7S MolecularWeight: 497.56514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2CCN(CC2)C(=O)NC3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H31N5O7S/c1-24-9-3-4-17(24)19(28)23-18(27)14-33-20(29)15-5-10-25(11-6-15)21(30)22-16-7-12-26(13-8-16)34(2,31)32/h3-4,9,15-16H,5-8,10-14H2,1-2H3,(H,22,30)(H,23,27,28)