N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S2/c1-2-25-15-8-9-16-17(12-15)26-19(20-16)21-18(22)10-11-27(23,24)13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,21,22)