N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-furylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-furanylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(2-furfuryl)-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S2/c1-18-11-12-21-22(15-18)31-24(25-21)26(16-20-9-5-13-30-20)23(27)10-6-14-32(28,29)17-19-7-3-2-4-8-19/h2-5,7-9,11-13,15H,6,10,14,16-17H2,1H3