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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-[4-(1-piperidyl)phenyl]benzamide CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitro-N-[4-(1-piperidinyl)phenyl]benzamide IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-N-(4-piperidinophenyl)benzamide Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O3S/c1-25-20(22-23-24-25)31-18-10-5-14(13-17(18)27(29)30)19(28)21-15-6-8-16(9-7-15)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12H2,1H3,(H,21,28)