N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-mesyl-benzenesulfonamide Formula: C17H18N2O4S3 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2O4S3/c1-25(20,21)13-8-10-14(11-9-13)26(22,23)18-12-4-7-17-19-15-5-2-3-6-16(15)24-17/h2-3,5-6,8-11,18H,4,7,12H2,1H3