N-(1,3-benzothiazol-2-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(4-tert-butylphenyl)sulfonyl-isonipecotamide Formula: C24H29N3O3S2 MolecularWeight: 471.63536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3O3S2/c1-24(2,3)18-8-10-19(11-9-18)32(29,30)27-14-12-17(13-15-27)23(28)25-16-22-26-20-6-4-5-7-21(20)31-22/h4-11,17H,12-16H2,1-3H3,(H,25,28)