ethyl 4-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N5O6S MolecularWeight: 469.55504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H31N5O6S/c1-3-31-20(28)24-8-6-15(7-9-24)22-19(27)14-4-10-25(11-5-14)32(29,30)16-12-17(18(21)26)23(2)13-16/h12-15H,3-11H2,1-2H3,(H2,21,26)(H,22,27)