N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzenesulfonylmethyl)furan-2-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzenesulfonylmethyl)-2-furancarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(benzenesulfonylmethyl)furan-2-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(besylmethyl)-2-furamide Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5S2/c1-13(25)22-15-7-8-17-18(11-15)30-21(23-17)24-20(26)19-14(9-10-29-19)12-31(27,28)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,25)(H,23,24,26)