[4-[(2-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [3-nitro-4-(o-tolylmethylsulfonyl)phenyl]-(1-piperidyl)methanone CAS Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(2-methylphenyl)methylsulfonyl]-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [4-(2-methylbenzyl)sulfonyl-3-nitro-phenyl]-piperidino-methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-15-7-3-4-8-17(15)14-28(26,27)19-10-9-16(13-18(19)22(24)25)20(23)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3