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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-14-10-11-17-19(15(14)2)22-20(26-17)21-18(23)9-6-12-27(24,25)13-16-7-4-3-5-8-16/h3-5,7-8,10-11H,6,9,12-13H2,1-2H3,(H,21,22,23)