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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(4,5-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=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CO3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)OC)C

InChI

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