N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-benzylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

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