[4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3-methylpiperidin-1-yl)methanone

Systemtic Name: [4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3-methylpiperidin-1-yl)methanone Openeye Name: [4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3-methyl-1-piperidyl)methanone CAS Name: [4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-(3-methyl-1-piperidinyl)methanone IUPAC Name: [4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-(3-methylpiperidin-1-yl)methanone Traditional Name: [4-(2-chlorophenyl)sulfonyl-3-nitro-phenyl]-(3-methylpiperidino)methanone Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O5S/c1-13-5-4-10-21(12-13)19(23)14-8-9-18(16(11-14)22(24)25)28(26,27)17-7-3-2-6-15(17)20/h2-3,6-9,11,13H,4-5,10,12H2,1H3