methyl 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methylsulfonyl-butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methylsulfonyl-butanoate Openeye Name: methyl 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-methylsulfonyl-butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-4-methylsulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-4-methylsulfonylbutanoate Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-4-mesyl-butyric acid methyl ester Formula: C20H25NO7S2 MolecularWeight: 455.545

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCS(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C20H25NO7S2/c1-27-17-9-11-18(12-10-17)30(25,26)21(15-16-7-5-4-6-8-16)19(20(22)28-2)13-14-29(3,23)24/h4-12,19H,13-15H2,1-3H3