methyl 4-[2-[(4-methoxy-3-methyl-phenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-methoxy-3-methyl-phenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[benzyl-(4-methoxy-3-methyl-phenyl)sulfonyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methoxy-3-methylphenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[benzyl-(4-methoxy-3-methyl-phenyl)sulfonyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H26N2O6S/c1-18-15-22(13-14-23(18)32-2)34(30,31)27(16-19-7-5-4-6-8-19)17-24(28)26-21-11-9-20(10-12-21)25(29)33-3/h4-15H,16-17H2,1-3H3,(H,26,28)