[2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl]-piperidin-1-yl-methanone Openeye Name: [2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl]-(1-piperidyl)methanone CAS Name: [2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl]-(1-piperidinyl)methanone IUPAC Name: [2,6-dimethyl-5-methylsulfonyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl]-piperidin-1-ylmethanone Traditional Name: [5-mesyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl]-piperidino-methanone Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O5S/c1-13-17(20(24)22-11-7-4-8-12-22)18(19(14(2)21-13)29(3,27)28)15-9-5-6-10-16(15)23(25)26/h5-6,9-10,18,21H,4,7-8,11-12H2,1-3H3