N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-morpholin-4-ylsulfonyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-morpholinosulfonyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-thiophenyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-morpholinosulfonyl-benzenesulfonamide Formula: C21H19N3O5S4 MolecularWeight: 521.65266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O5S4/c25-32(26,15-5-7-16(8-6-15)33(27,28)24-10-12-29-13-11-24)23-21-17(9-14-30-21)20-22-18-3-1-2-4-19(18)31-20/h1-9,14,23H,10-13H2