methyl 4,5-dimethoxy-2-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[phenethyl(phenylsulfonyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[benzenesulfonyl(phenethyl)amino]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[benzenesulfonyl(phenethyl)amino]acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[besyl(phenethyl)amino]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C26H28N2O7S/c1-33-23-16-21(26(30)35-3)22(17-24(23)34-2)27-25(29)18-28(15-14-19-10-6-4-7-11-19)36(31,32)20-12-8-5-9-13-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,27,29)