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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)propionamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S2/c1-13-19-16-8-7-15(11-17(16)24-13)20-18(21)9-10-25(22,23)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,21)