N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-4-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=C4NC5=CC=CC=C5S4)C(=O)C=C3

InChI

InChI=1S/C26H25N3O4S2/c1-17-5-4-14-29(16-17)35(32,33)20-11-8-18(9-12-20)25(31)27-19-10-13-23(30)21(15-19)26-28-22-6-2-3-7-24(22)34-26/h2-3,6-13,15,17,28H,4-5,14,16H2,1H3,(H,27,31)/t17-/m0/s1