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

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-tosyl-isonipecotamide Formula: C23H26N4O6S2 MolecularWeight: 518.60574

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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-])CCOC

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-])CCOC

InChI

InChI=1S/C23H26N4O6S2/c1-16-3-6-19(7-4-16)35(31,32)25-11-9-17(10-12-25)22(28)24-23-26(13-14-33-2)20-15-18(27(29)30)5-8-21(20)34-23/h3-8,15,17H,9-14H2,1-2H3