(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-N-phenethyl-3,4-dihydrochromene-6-sulfonamide

Systemtic Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-N-phenethyl-3,4-dihydrochromene-6-sulfonamide Openeye Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenethyl-chromane-6-sulfonamide CAS Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenethyl-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenethyl-3,4-dihydrochromene-6-sulfonamide Traditional Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenethyl-chroman-6-sulfonamide Formula: C27H32N2O6S2 MolecularWeight: 544.68278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)(C)C)O

InChI

InChI=1S/C27H32N2O6S2/c1-4-19-10-12-21(13-11-19)37(33,34)29-25-23-18-22(14-15-24(23)35-27(2,3)26(25)30)36(31,32)28-17-16-20-8-6-5-7-9-20/h5-15,18,25-26,28-30H,4,16-17H2,1-3H3/t25-,26+/m1/s1