N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(2-furylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-furanylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(2-furfuryl)-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

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