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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C26H26N2O3S2/c1-18-9-11-22(12-10-18)33(30,31)14-13-25(29)28(17-21-7-5-4-6-8-21)26-27-23-15-19(2)20(3)16-24(23)32-26/h4-12,15-16H,13-14,17H2,1-3H3