1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpiperidin-3-amine

Systemtic Name: 1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpiperidin-3-amine Openeye Name: 1-(4,5-dimethyl-2-nitro-phenyl)sulfonylpiperidin-3-amine CAS Name: 1-(4,5-dimethyl-2-nitrophenyl)sulfonyl-3-piperidinamine IUPAC Name: 1-(4,5-dimethyl-2-nitrophenyl)sulfonylpiperidin-3-amine Traditional Name: [1-(4,5-dimethyl-2-nitro-phenyl)sulfonyl-3-piperidyl]amine Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCC(C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCCC(C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-9-6-12(16(17)18)13(7-10(9)2)21(19,20)15-5-3-4-11(14)8-15/h6-7,11H,3-5,8,14H2,1-2H3