N-(2-methyl-1,3-benzoxazol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-1,3-benzoxazol-5-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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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)OC(=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C

InChI

InChI=1S/C21H22N4O6S/c1-13-3-5-17(25(27)28)12-20(13)32(29,30)24-9-7-15(8-10-24)21(26)23-16-4-6-19-18(11-16)22-14(2)31-19/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,26)