N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(phenylmethyl)sulfonyl-ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-benzylsulfonyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)acetamide Formula: C21H17BrN2O4S2 MolecularWeight: 505.40468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O4S2/c22-16-8-9-18-19(11-16)29-21(23-18)24(12-17-7-4-10-28-17)20(25)14-30(26,27)13-15-5-2-1-3-6-15/h1-11H,12-14H2