(phenylmethyl) 2-[(4-methoxyphenyl)sulfonyl-(4-oxidanylidenecyclohexyl)amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-methoxyphenyl)sulfonyl-(4-oxidanylidenecyclohexyl)amino]ethanoate Openeye Name: benzyl 2-[(4-methoxyphenyl)sulfonyl-(4-oxocyclohexyl)amino]acetate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(4-oxocyclohexyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methoxyphenyl)sulfonyl-(4-oxocyclohexyl)amino]acetate Traditional Name: 2-[(4-ketocyclohexyl)-(4-methoxyphenyl)sulfonyl-amino]acetic acid benzyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OCC2=CC=CC=C2)C3CCC(=O)CC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OCC2=CC=CC=C2)C3CCC(=O)CC3

InChI

InChI=1S/C22H25NO6S/c1-28-20-11-13-21(14-12-20)30(26,27)23(18-7-9-19(24)10-8-18)15-22(25)29-16-17-5-3-2-4-6-17/h2-6,11-14,18H,7-10,15-16H2,1H3