methyl 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[(1-methyl-4-imidazolyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-(1-methylimidazol-4-yl)sulfonylprolyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H24N4O5S/c1-22-12-17(20-13-22)29(26,27)23-10-6-9-16(23)18(24)21-15(19(25)28-2)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,15-16H,6,9-11H2,1-2H3,(H,21,24)