[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-methoxyphenyl)methanone CAS Name: [1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-methoxyphenyl)methanone Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6S/c1-14-12-18(23(25)26)13-20(15(14)2)30(27,28)22-10-8-17(9-11-22)21(24)16-4-6-19(29-3)7-5-16/h4-7,12-13,17H,8-11H2,1-3H3