N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-benzyl-4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-benzyl-4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-benzylsulfonyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S2/c1-20-16-24-25(17-21(20)2)33-27(28-24)29(18-22-10-5-3-6-11-22)26(30)14-9-15-34(31,32)19-23-12-7-4-8-13-23/h3-8,10-13,16-17H,9,14-15,18-19H2,1-2H3