ethyl 4-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(4-methoxy-N-methylsulfonyl-anilino)propanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]-3-methylbenzoate Traditional Name: 4-[2-(N-mesyl-4-methoxy-anilino)propanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O6S/c1-6-29-21(25)16-7-12-19(14(2)13-16)22-20(24)15(3)23(30(5,26)27)17-8-10-18(28-4)11-9-17/h7-13,15H,6H2,1-5H3,(H,22,24)