propan-2-yl 2,4-dimethyl-5-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[[2-[methyl(tosyl)amino]acetyl]amino]carbamoyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H28N4O6S MolecularWeight: 464.53522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

InChI

InChI=1S/C21H28N4O6S/c1-12(2)31-21(28)18-14(4)19(22-15(18)5)20(27)24-23-17(26)11-25(6)32(29,30)16-9-7-13(3)8-10-16/h7-10,12,22H,11H2,1-6H3,(H,23,26)(H,24,27)