3-(4-methyl-1,2,4-triazol-3-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine

Systemtic Name: 3-(4-methyl-1,2,4-triazol-3-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine Openeye Name: 3-(4-methyl-1,2,4-triazol-3-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine CAS Name: 3-(4-methyl-1,2,4-triazol-3-yl)-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperidine IUPAC Name: 3-(4-methyl-1,2,4-triazol-3-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine Traditional Name: 3-(4-methyl-1,2,4-triazol-3-yl)-1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperidine Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2CCCN(C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1C2CCCN(C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4S/c1-21-13-19-20-18(21)14-5-4-8-22(12-14)16-7-6-15(11-17(16)24(25)26)29(27,28)23-9-2-3-10-23/h6-7,11,13-14H,2-5,8-10,12H2,1H3