N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)isonipecotamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C)C

InChI

InChI=1S/C23H27N3O3S2/c1-14-11-15(2)22(16(3)12-14)31(28,29)26-9-7-18(8-10-26)23(27)25-19-5-6-20-21(13-19)30-17(4)24-20/h5-6,11-13,18H,7-10H2,1-4H3,(H,25,27)