(phenylmethyl) 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(4-propoxycyclohexyl)ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(4-propoxycyclohexyl)ethanoate Openeye Name: benzyl 2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]-2-(4-propoxycyclohexyl)acetate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(4-propoxycyclohexyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-2-(4-propoxycyclohexyl)acetate Traditional Name: 2-[(4-methoxyphenyl)sulfonyl-(4-pyridylmethyl)amino]-2-(4-propoxycyclohexyl)acetic acid benzyl ester Formula: C31H38N2O6S MolecularWeight: 566.70822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC(CC1)C(C(=O)OCC2=CC=CC=C2)N(CC3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCOC1CCC(CC1)C(C(=O)OCC2=CC=CC=C2)N(CC3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H38N2O6S/c1-3-21-38-28-11-9-26(10-12-28)30(31(34)39-23-25-7-5-4-6-8-25)33(22-24-17-19-32-20-18-24)40(35,36)29-15-13-27(37-2)14-16-29/h4-8,13-20,26,28,30H,3,9-12,21-23H2,1-2H3