N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C

InChI

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