[4-[(4-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-(4-methylpiperidin-1-yl)methanone Openeye Name: (4-methyl-1-piperidyl)-[3-nitro-4-(p-tolylmethylsulfonyl)phenyl]methanone CAS Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [4-(4-methylbenzyl)sulfonyl-3-nitro-phenyl]-(4-methylpiperidino)methanone Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)CC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-15-3-5-17(6-4-15)14-29(27,28)20-8-7-18(13-19(20)23(25)26)21(24)22-11-9-16(2)10-12-22/h3-8,13,16H,9-12,14H2,1-2H3