ethyl 1-[5-chloranyl-2-[2-(1-oxidanylbutan-2-ylamino)ethanoylamino]phenyl]sulfonylpyrrole-2-carboxylate

Systemtic Name: ethyl 1-[5-chloranyl-2-[2-(1-oxidanylbutan-2-ylamino)ethanoylamino]phenyl]sulfonylpyrrole-2-carboxylate Openeye Name: ethyl 1-[5-chloro-2-[[2-[1-(hydroxymethyl)propylamino]acetyl]amino]phenyl]sulfonylpyrrole-2-carboxylate CAS Name: 1-[5-chloro-2-[[2-(1-hydroxybutan-2-ylamino)-1-oxoethyl]amino]phenyl]sulfonyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-chloro-2-[[2-(1-hydroxybutan-2-ylamino)acetyl]amino]phenyl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-[5-chloro-2-[[2-(1-methylolpropylamino)acetyl]amino]phenyl]sulfonylpyrrole-2-carboxylic acid ethyl ester Formula: C19H24ClN3O6S MolecularWeight: 457.92836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC

Isomeric SMILES

CCC(CO)NCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC

InChI

InChI=1S/C19H24ClN3O6S/c1-3-14(12-24)21-11-18(25)22-15-8-7-13(20)10-17(15)30(27,28)23-9-5-6-16(23)19(26)29-4-2/h5-10,14,21,24H,3-4,11-12H2,1-2H3,(H,22,25)