N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-(2-thienylsulfonyl)propanoylamino]benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(1-oxo-3-thiophen-2-ylsulfonylpropyl)amino]benzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[3-(2-thienylsulfonyl)propanoylamino]benzamide Formula: C22H19N3O5S3 MolecularWeight: 501.59836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O5S3/c1-30-16-8-9-17-18(13-16)32-22(24-17)25-21(27)14-4-6-15(7-5-14)23-19(26)10-12-33(28,29)20-3-2-11-31-20/h2-9,11,13H,10,12H2,1H3,(H,23,26)(H,24,25,27)