3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-piperidin-1-ylphenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-piperidin-1-ylphenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(1-piperidyl)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(1-piperidinyl)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-piperidin-1-ylphenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-piperidinophenyl)propane-1-sulfonamide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O2S3/c25-29(26,16-6-15-27-21-22-19-7-2-3-8-20(19)28-21)23-17-9-11-18(12-10-17)24-13-4-1-5-14-24/h2-3,7-12,23H,1,4-6,13-16H2