N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C25H31N3O3S2/c1-16-14-17(2)19(4)24(18(16)3)33(30,31)28-12-10-20(11-13-28)25(29)27(5)15-23-26-21-8-6-7-9-22(21)32-23/h6-9,14,20H,10-13,15H2,1-5H3