1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-amine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-amine Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-amine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinamine IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]amine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)N

InChI

InChI=1S/C12H17N3O4S/c1-9-4-5-11(15(16)17)7-12(9)20(18,19)14-6-2-3-10(13)8-14/h4-5,7,10H,2-3,6,8,13H2,1H3