N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)propanamide Traditional Name: 3-besyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)propionamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N2O4S2/c1-16-10-11-20-22(17(16)2)24-23(30-20)25(15-18-7-6-13-29-18)21(26)12-14-31(27,28)19-8-4-3-5-9-19/h3-11,13H,12,14-15H2,1-2H3