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

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)butanamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-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=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

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