ethyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-p-phenetylsulfonylisonipecotoyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H31N3O6S/c1-3-29-18-5-7-19(8-6-18)31(27,28)24-11-9-17(10-12-24)20(25)22-13-15-23(16-14-22)21(26)30-4-2/h5-8,17H,3-4,9-16H2,1-2H3