methyl 1-[[4-(4-methoxycarbonylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(4-methoxycarbonylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-[(4-methoxycarbonyl-1-piperidyl)sulfonyl]-1H-pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(4-methoxycarbonyl-1-piperidinyl)sulfonyl]-1H-pyrrol-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(4-methoxycarbonylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-carbomethoxypiperidino)sulfonyl-1H-pyrrole-2-carbonyl]isonipecotic acid methyl ester Formula: C19H27N3O7S MolecularWeight: 441.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H27N3O7S/c1-28-18(24)13-3-7-21(8-4-13)17(23)16-11-15(12-20-16)30(26,27)22-9-5-14(6-10-22)19(25)29-2/h11-14,20H,3-10H2,1-2H3