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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C23H27N3O3S2/c1-15(2)17-4-7-20(8-5-17)31(28,29)26-12-10-18(11-13-26)23(27)25-19-6-9-21-22(14-19)30-16(3)24-21/h4-9,14-15,18H,10-13H2,1-3H3,(H,25,27)