(phenylmethyl) 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(1-thiophen-2-ylcarbonylpiperidin-4-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(1-thiophen-2-ylcarbonylpiperidin-4-yl)ethanoate Openeye Name: benzyl 2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]-2-[1-(thiophene-2-carbonyl)-4-piperidyl]acetate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]-2-[1-(2-thenoyl)-4-piperidyl]acetic acid benzyl ester Formula: C32H33N3O6S2 MolecularWeight: 619.75092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=NC=C2)C(C3CCN(CC3)C(=O)C4=CC=CS4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=NC=C2)C(C3CCN(CC3)C(=O)C4=CC=CS4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H33N3O6S2/c1-40-27-9-11-28(12-10-27)43(38,39)35(22-24-13-17-33-18-14-24)30(32(37)41-23-25-6-3-2-4-7-25)26-15-19-34(20-16-26)31(36)29-8-5-21-42-29/h2-14,17-18,21,26,30H,15-16,19-20,22-23H2,1H3