N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(2-furylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(2-furanylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(2-furfuryl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

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