2-[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-[2-(4-tert-butylphenyl)-4-oxidanylidene-chromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-[2-(4-tert-butylphenyl)-4-oxo-chromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[[2-(4-tert-butylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-[2-(4-tert-butylphenyl)-4-oxochromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[2-(4-tert-butylphenyl)-4-keto-chromen-3-yl]oxy-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C33H36N2O6S MolecularWeight: 588.71374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C33H36N2O6S/c1-5-27(32(37)34-24-16-18-25(19-17-24)42(38,39)35-20-8-9-21-35)40-31-29(36)26-10-6-7-11-28(26)41-30(31)22-12-14-23(15-13-22)33(2,3)4/h6-7,10-19,27H,5,8-9,20-21H2,1-4H3,(H,34,37)