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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H23N3O3S3/c1-15-9-10-16(13-19(15)30(26,27)24-11-5-2-6-12-24)22-20(25)14-28-21-23-17-7-3-4-8-18(17)29-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,25)