N-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-[(phenethylamino)methyl]-3,4-dihydrochromen-4-yl]-4-ethyl-benzenesulfonamide

Systemtic Name: N-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-[(phenethylamino)methyl]-3,4-dihydrochromen-4-yl]-4-ethyl-benzenesulfonamide Openeye Name: 4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[(phenethylamino)methyl]chroman-4-yl]benzenesulfonamide CAS Name: 4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[(phenethylamino)methyl]-3,4-dihydro-2H-1-benzopyran-4-yl]benzenesulfonamide IUPAC Name: 4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[(phenethylamino)methyl]-3,4-dihydrochromen-4-yl]benzenesulfonamide Traditional Name: 4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-[(phenethylamino)methyl]chroman-4-yl]benzenesulfonamide Formula: C28H34N2O4S MolecularWeight: 494.64556

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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)CNCCC4=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)CNCCC4=CC=CC=C4)(C)C)O

InChI

InChI=1S/C28H34N2O4S/c1-4-20-10-13-23(14-11-20)35(32,33)30-26-24-18-22(12-15-25(24)34-28(2,3)27(26)31)19-29-17-16-21-8-6-5-7-9-21/h5-15,18,26-27,29-31H,4,16-17,19H2,1-3H3/t26-,27+/m1/s1