[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(3-methyl-1-piperidyl)methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(3-methylpiperidino)methanone Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H27N3O5S/c1-14-4-3-9-20(13-14)19(23)16-7-10-21(11-8-16)28(26,27)18-12-17(22(24)25)6-5-15(18)2/h5-6,12,14,16H,3-4,7-11,13H2,1-2H3