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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCC(C3)C

Isomeric SMILES

CC1CCCN(C1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCCC(C3)C

InChI

InChI=1S/C21H33N3O4S/c1-17-5-3-11-22(13-17)15-20(23-12-4-6-18(2)14-23)16-29(27,28)21-9-7-19(8-10-21)24(25)26/h7-10,17-18,20H,3-6,11-16H2,1-2H3