N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6S2/c1-13-3-5-16(6-4-13)33(29,30)24-9-7-14(8-10-24)20(26)23-21-22-19-17(31-2)11-15(25(27)28)12-18(19)32-21/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,23,26)