ethyl 5-(2-phenylazetidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(2-phenylazetidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(2-phenylazetidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[(2-phenyl-1-azetidinyl)sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-phenylazetidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-(2-phenylazetidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCC2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCC2C3=CC=CC=C3

InChI

InChI=1S/C15H17N3O4S/c1-2-22-15(19)12-10-16-17-14(12)23(20,21)18-9-8-13(18)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3,(H,16,17)