3-[[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[3-(1-cyclopropyltetrazol-5-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[[3-(1-cyclopropyl-5-tetrazolyl)phenyl]sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[[3-(1-cyclopropyltetrazol-5-yl)phenyl]sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[[3-(1-cyclopropyltetrazol-5-yl)phenyl]sulfamoyl]-4-methyl-benzoic acid Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

InChI

InChI=1S/C18H17N5O4S/c1-11-5-6-13(18(24)25)10-16(11)28(26,27)20-14-4-2-3-12(9-14)17-19-21-22-23(17)15-7-8-15/h2-6,9-10,15,20H,7-8H2,1H3,(H,24,25)