4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate

Systemtic Name: 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C14H16N5O4S- MolecularWeight: 350.37294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=NC2=NC=NN2)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=NC2=NC=NN2)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C14H17N5O4S/c1-23-11-5-4-10(13(20)17-14-15-9-16-18-14)8-12(11)24(21,22)19-6-2-3-7-19/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,16,17,18,20)/p-1