methyl 1-[(3R)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[(3R)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[(3R)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(3R)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3R)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3R)-1-(4-acetamidophenyl)sulfonylnipecotoyl]isonipecotic acid methyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H29N3O6S/c1-15(25)22-18-5-7-19(8-6-18)31(28,29)24-11-3-4-17(14-24)20(26)23-12-9-16(10-13-23)21(27)30-2/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,22,25)/t17-/m1/s1