methyl 3-[[(2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-[(4-ethanoylphenyl)sulfonylamino]propanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-[(4-acetylphenyl)sulfonylamino]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-12-5-6-16(20(25)28-4)11-18(12)21-19(24)13(2)22-29(26,27)17-9-7-15(8-10-17)14(3)23/h5-11,13,22H,1-4H3,(H,21,24)/t13-/m0/s1