N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H19ClN2O3S2 MolecularWeight: 422.94876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O3S2/c1-13-10-15(20)11-16-18(13)22-19(26-16)21-17(23)8-5-9-27(24,25)12-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,21,22,23)