N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N2O5S2/c1-17-14-22-23(15-18(17)2)33-25(26-22)27(16-20-6-4-12-32-20)24(28)7-5-13-34(29,30)21-10-8-19(31-3)9-11-21/h4,6,8-12,14-15H,5,7,13,16H2,1-3H3