ethyl 4-[[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(phenylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-besyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5S/c1-2-31-23(28)25-15-13-24(14-16-25)22(27)19-10-11-21-18(17-19)7-6-12-26(21)32(29,30)20-8-4-3-5-9-20/h3-5,8-11,17H,2,6-7,12-16H2,1H3