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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCS(=O)(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H23ClN2O3S2/c1-17-8-13-22-24(18(17)2)27-25(32-22)28(16-19-6-4-3-5-7-19)23(29)14-15-33(30,31)21-11-9-20(26)10-12-21/h3-13H,14-16H2,1-2H3