2-methyl-1-[2-(2-methylpiperidin-1-yl)-3-(4-nitrophenyl)sulfonyl-propyl]piperidine

Systemtic Name: 2-methyl-1-[2-(2-methylpiperidin-1-yl)-3-(4-nitrophenyl)sulfonyl-propyl]piperidine Openeye Name: 2-methyl-1-[2-(2-methyl-1-piperidyl)-3-(4-nitrophenyl)sulfonyl-propyl]piperidine CAS Name: 2-methyl-1-[2-(2-methyl-1-piperidinyl)-3-(4-nitrophenyl)sulfonylpropyl]piperidine IUPAC Name: 2-methyl-1-[2-(2-methylpiperidin-1-yl)-3-(4-nitrophenyl)sulfonylpropyl]piperidine Traditional Name: 2-methyl-1-[2-(2-methylpiperidino)-3-nosyl-propyl]piperidine Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3C

Isomeric SMILES

CC1CCCCN1CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3C

InChI

InChI=1S/C21H33N3O4S/c1-17-7-3-5-13-22(17)15-20(23-14-6-4-8-18(23)2)16-29(27,28)21-11-9-19(10-12-21)24(25)26/h9-12,17-18,20H,3-8,13-16H2,1-2H3