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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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