N3-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(1-cyclopropyltetrazol-5-yl)phenyl]benzene-1,3-disulfonamide Formula: C16H16N6O4S2 MolecularWeight: 420.46604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

Isomeric SMILES

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C16H16N6O4S2/c17-27(23,24)14-5-2-6-15(10-14)28(25,26)19-12-4-1-3-11(9-12)16-18-20-21-22(16)13-7-8-13/h1-6,9-10,13,19H,7-8H2,(H2,17,23,24)