N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-(p-tolyl)thiazol-2-yl]butanamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(p-tolyl)thiazol-2-yl]butyramide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S2/c1-16-9-11-18(12-10-16)19-14-27-21(22-19)23-20(24)8-5-13-28(25,26)15-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,22,23,24)