4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitro-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-N-(4-pyrrolidinosulfonylphenyl)benzamide Formula: C19H19N7O5S2 MolecularWeight: 489.52806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O5S2/c1-24-19(21-22-23-24)32-17-9-4-13(12-16(17)26(28)29)18(27)20-14-5-7-15(8-6-14)33(30,31)25-10-2-3-11-25/h4-9,12H,2-3,10-11H2,1H3,(H,20,27)