N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-dioxo-isoindolin-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-dioxo-5-isoindolyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-diketo-2-methyl-isoindolin-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H22N4O7S MolecularWeight: 486.49768

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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)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)C(=O)N(C4=O)C

InChI

InChI=1S/C22H22N4O7S/c1-13-3-5-16(26(30)31)12-19(13)34(32,33)25-9-7-14(8-10-25)20(27)23-15-4-6-17-18(11-15)22(29)24(2)21(17)28/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,27)