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

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(2H-tetrazol-5-yl)benzamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-(2H-tetrazol-5-yl)benzamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2H-tetrazol-5-yl)benzamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-(2H-tetrazol-5-yl)benzamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NNN=N3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NNN=N3)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)