4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(2-methyl-5-piperidinosulfonyl-phenyl)butyramide Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O3S3/c1-17-11-12-18(32(28,29)26-13-5-2-6-14-26)16-20(17)24-22(27)10-7-15-30-23-25-19-8-3-4-9-21(19)31-23/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,24,27)