1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidin-3-amine

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidin-3-amine Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperidin-3-amine CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3-piperidinamine IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperidin-3-amine Traditional Name: [1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]amine Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O4S/c1-8-11(13)5-10(6-12(8)16(17)18)21(19,20)15-4-2-3-9(14)7-15/h5-6,9H,2-4,7,14H2,1H3