N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-tosyl-propionamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N2O3S2/c1-17-6-12-20(13-7-17)31(28,29)15-14-23(27)25-19-10-8-18(9-11-19)16-24-26-21-4-2-3-5-22(21)30-24/h2-13H,14-16H2,1H3,(H,25,27)