3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4-dichlorophenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4-dichlorophenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4-dichlorophenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(3,4-dichlorophenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3,4-dichlorophenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3,4-dichlorobenzyl)propane-1-sulfonamide Formula: C17H16Cl2N2O2S3 MolecularWeight: 447.42214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O2S3/c18-13-7-6-12(10-14(13)19)11-20-26(22,23)9-3-8-24-17-21-15-4-1-2-5-16(15)25-17/h1-2,4-7,10,20H,3,8-9,11H2