[1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]methanamine

Systemtic Name: [1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-4-yl]methanamine Openeye Name: [1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]methanamine CAS Name: [1-(4-methyl-3-nitrophenyl)sulfonyl-4-piperidinyl]methanamine IUPAC Name: [1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-4-yl]methanamine Traditional Name: [1-(4-methyl-3-nitro-phenyl)sulfonyl-4-piperidyl]methylamine Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CN)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-10-2-3-12(8-13(10)16(17)18)21(19,20)15-6-4-11(9-14)5-7-15/h2-3,8,11H,4-7,9,14H2,1H3