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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-9-7-12(16(17)18)8-13(10(9)2)21(19,20)15-5-3-11(14)4-6-15/h7-8,11H,3-6,14H2,1-2H3