N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-besyl-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide Formula: C21H16BrN3O3S2 MolecularWeight: 502.40404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O3S2/c22-15-9-10-18-19(12-15)29-21(24-18)25(13-16-6-4-5-11-23-16)20(26)14-30(27,28)17-7-2-1-3-8-17/h1-12H,13-14H2