2-(2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl)-2-phenylazanyl-ethanoic acid

Systemtic Name: 2-(2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl)-2-phenylazanyl-ethanoic acid Openeye Name: 2-anilino-2-[3-hydroxy-2,2-dimethyl-6-(1-piperidylsulfonyl)chroman-4-yl]acetic acid CAS Name: 2-anilino-2-[3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]acetic acid IUPAC Name: 2-anilino-2-(3-hydroxy-2,2-dimethyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl)acetic acid Traditional Name: 2-anilino-2-(3-hydroxy-2,2-dimethyl-6-piperidinosulfonyl-chroman-4-yl)acetic acid Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)C(C(=O)O)NC4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)C(C(=O)O)NC4=CC=CC=C4)O)C

InChI

InChI=1S/C24H30N2O6S/c1-24(2)22(27)20(21(23(28)29)25-16-9-5-3-6-10-16)18-15-17(11-12-19(18)32-24)33(30,31)26-13-7-4-8-14-26/h3,5-6,9-12,15,20-22,25,27H,4,7-8,13-14H2,1-2H3,(H,28,29)