N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C26H25N3O5S2 MolecularWeight: 523.6238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C/C(=C\4/NC5=CC=CC=C5S4)/C(=O)C=C3

InChI

InChI=1S/C26H25N3O5S2/c1-34-19-7-9-20(10-8-19)36(32,33)29-14-12-17(13-15-29)25(31)27-18-6-11-23(30)21(16-18)26-28-22-4-2-3-5-24(22)35-26/h2-11,16-17,28H,12-15H2,1H3,(H,27,31)/b26-21+