8-[1-[(4-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-2,2-dimethyl-3-oxidanyl-4-phenylazanyl-3,4-dihydrochromene-6-sulfinic acid

Systemtic Name: 8-[1-[(4-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]-2,2-dimethyl-3-oxidanyl-4-phenylazanyl-3,4-dihydrochromene-6-sulfinic acid Openeye Name: 4-anilino-3-hydroxy-8-[1-[(4-methoxyphenyl)methyl]-5-oxo-pyrrolidin-2-yl]-2,2-dimethyl-chromane-6-sulfinic acid CAS Name: 4-anilino-3-hydroxy-8-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-pyrrolidinyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-sulfinic acid IUPAC Name: 4-anilino-3-hydroxy-8-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfinic acid Traditional Name: 4-anilino-3-hydroxy-8-(5-keto-1-p-anisyl-pyrrolidin-2-yl)-2,2-dimethyl-chroman-6-sulfinic acid Formula: C29H32N2O6S MolecularWeight: 536.63918

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C(=CC(=C2)S(=O)O)C3CCC(=O)N3CC4=CC=C(C=C4)OC)NC5=CC=CC=C5)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C(=CC(=C2)S(=O)O)C3CCC(=O)N3CC4=CC=C(C=C4)OC)NC5=CC=CC=C5)O)C

InChI

InChI=1S/C29H32N2O6S/c1-29(2)28(33)26(30-19-7-5-4-6-8-19)23-16-21(38(34)35)15-22(27(23)37-29)24-13-14-25(32)31(24)17-18-9-11-20(36-3)12-10-18/h4-12,15-16,24,26,28,30,33H,13-14,17H2,1-3H3,(H,34,35)