N-(2-methyl-1,3-benzothiazol-5-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)butyramide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S2/c1-14-20-17-12-16(9-10-18(17)25-14)21-19(22)8-5-11-26(23,24)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22)