N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-1-tosyl-isonipecotamide Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H29N3O4S2/c1-3-20-8-11-24-25(17-20)35-27(28-24)30(18-22-5-4-16-34-22)26(31)21-12-14-29(15-13-21)36(32,33)23-9-6-19(2)7-10-23/h4-11,16-17,21H,3,12-15,18H2,1-2H3