ethyl 2-[4-[2-[(4-chlorophenyl)sulfonyl-phenylmethoxycarbonyl-amino]-1-pyridin-3-yl-ethyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[2-[(4-chlorophenyl)sulfonyl-phenylmethoxycarbonyl-amino]-1-pyridin-3-yl-ethyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-[benzyloxycarbonyl-(4-chlorophenyl)sulfonyl-amino]-1-(3-pyridyl)ethyl]phenoxy]acetate CAS Name: 2-[4-[2-[(4-chlorophenyl)sulfonyl-phenylmethoxycarbonylamino]-1-(3-pyridinyl)ethyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-[(4-chlorophenyl)sulfonyl-phenylmethoxycarbonylamino]-1-pyridin-3-ylethyl]phenoxy]acetate Traditional Name: 2-[4-[2-[carbobenzoxy-(4-chlorophenyl)sulfonyl-amino]-1-(3-pyridyl)ethyl]phenoxy]acetic acid ethyl ester Formula: C31H29ClN2O7S MolecularWeight: 609.08916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C(CN(C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C(CN(C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C31H29ClN2O7S/c1-2-39-30(35)22-40-27-14-10-24(11-15-27)29(25-9-6-18-33-19-25)20-34(31(36)41-21-23-7-4-3-5-8-23)42(37,38)28-16-12-26(32)13-17-28/h3-19,29H,2,20-22H2,1H3