methyl 3-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]amino]-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: methyl 3-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]amino]-3-oxidanylidene-propane-1-sulfonate Openeye Name: methyl 3-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]amino]-3-oxo-propane-1-sulfonate CAS Name: 3-[[1-methyl-5-[oxo(propylamino)methyl]-3-pyrrolyl]amino]-3-oxo-1-propanesulfonic acid IUPAC Name: methyl 3-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]amino]-3-oxopropane-1-sulfonate Traditional Name: 3-keto-3-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]amino]propane-1-sulfonic acid methyl ester Formula: C13H21N3O5S MolecularWeight: 331.38794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CN1C)NC(=O)CCS(=O)(=O)OC

Isomeric SMILES

CCCNC(=O)C1=CC(=CN1C)NC(=O)CCS(=O)(=O)OC

InChI

InChI=1S/C13H21N3O5S/c1-4-6-14-13(18)11-8-10(9-16(11)2)15-12(17)5-7-22(19,20)21-3/h8-9H,4-7H2,1-3H3,(H,14,18)(H,15,17)