N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(2-furylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-furanylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(2-furfuryl)-N-(4-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-17-7-5-11-20-22(17)24-23(30-20)25(15-19-10-6-13-29-19)21(26)12-14-31(27,28)16-18-8-3-2-4-9-18/h2-11,13H,12,14-16H2,1H3