N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)benzenecarboximidate Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2H-tetrazol-5-yl)benzenecarboximidate CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzenecarboximidate IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2H-tetrazol-5-yl)benzenecarboximidate Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2H-tetrazol-5-yl)benzenecarboximidate Formula: C20H21N6O4S- MolecularWeight: 441.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N=C(C2=CC=CC(=C2)C3=NNN=N3)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)N=C(C2=CC=CC(=C2)C3=NNN=N3)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N6O4S/c1-2-30-17-9-8-16(13-18(17)31(28,29)26-10-3-4-11-26)21-20(27)15-7-5-6-14(12-15)19-22-24-25-23-19/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,27)(H,22,23,24,25)/p-1