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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=O)C(=C4NC5=CC=CC=C5S4)C=C3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=O)C(=C4NC5=CC=CC=C5S4)C=C3

InChI

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