N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-ethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-ethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4-ethyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S2/c1-2-15-9-6-10-16-18(15)21-19(25-16)20-17(22)11-12-26(23,24)13-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,20,21,22)