N-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-furfuryl)-1-tosyl-isonipecotamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O4S2/c1-18-8-10-21(11-9-18)34(30,31)27-14-12-19(13-15-27)24(29)28(17-20-5-4-16-32-20)25-26-22-6-2-3-7-23(22)33-25/h2-11,16,19H,12-15,17H2,1H3