N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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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=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S2/c1-13-10-15(3)20-18(11-13)32-22(23-20)24-21(27)16-6-8-25(9-7-16)33(30,31)19-12-17(26(28)29)5-4-14(19)2/h4-5,10-12,16H,6-9H2,1-3H3,(H,23,24,27)