methyl 3-[[4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propanoate

Systemtic Name: methyl 3-[[4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 3-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]propanoate CAS Name: 3-[[4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]propanoate Traditional Name: 3-[(4-benzyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonyl]propionic acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)C3CCCN3

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NN=C(N1CC2=CC=CC=C2)C3CCCN3

InChI

InChI=1S/C17H22N4O4S/c1-25-15(22)9-11-26(23,24)17-20-19-16(14-8-5-10-18-14)21(17)12-13-6-3-2-4-7-13/h2-4,6-7,14,18H,5,8-12H2,1H3