[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)NC(=O)C2=CC=CN2C

InChI

InChI=1S/C18H21N3O6S/c1-13-6-8-14(9-7-13)28(25,26)21(3)11-17(23)27-12-16(22)19-18(24)15-5-4-10-20(15)2/h4-10H,11-12H2,1-3H3,(H,19,22,24)