ethyl 1-[1-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]isonipecotoyl]nipecotic acid ethyl ester Formula: C25H35N3O6S MolecularWeight: 505.6269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C

InChI

InChI=1S/C25H35N3O6S/c1-3-34-25(31)21-7-4-12-26(17-21)24(30)19-10-14-27(15-11-19)35(32,33)22-8-9-23-20(16-22)6-5-13-28(23)18(2)29/h8-9,16,19,21H,3-7,10-15,17H2,1-2H3