4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

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