1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylsulfonylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylsulfonylethyl)piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylsulfonylethyl)piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-methylsulfonylethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-methylsulfonylethyl)piperidine-4-carboxamide Traditional Name: N-(2-mesylethyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C16H23N3O7S2 MolecularWeight: 433.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCS(=O)(=O)C

InChI

InChI=1S/C16H23N3O7S2/c1-12-3-4-14(19(21)22)11-15(12)28(25,26)18-8-5-13(6-9-18)16(20)17-7-10-27(2,23)24/h3-4,11,13H,5-10H2,1-2H3,(H,17,20)