N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-tosyl-isonipecotamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S2/c1-14-3-6-17(7-4-14)32(29,30)24-11-9-15(10-12-24)20(26)22-21-23(2)18-13-16(25(27)28)5-8-19(18)31-21/h3-8,13,15H,9-12H2,1-2H3