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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furfuryl)butyramide Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S2/c1-2-31-20-12-13-22-23(16-20)33-25(26-22)27(17-21-10-6-14-32-21)24(28)11-7-15-34(29,30)18-19-8-4-3-5-9-19/h3-6,8-10,12-14,16H,2,7,11,15,17-18H2,1H3