N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methyl-benzamide Openeye Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylbenzamide Traditional Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonylphenyl]-2-methyl-benzamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c1-18-6-2-3-7-22(18)25(30)27-20-10-12-21(13-11-20)34(31,32)29-16-14-19(15-17-29)26-28-23-8-4-5-9-24(23)33-26/h2-13,19H,14-17H2,1H3,(H,27,30)