ethyl 2-[[(3R,4S)-2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[[(3R,4S)-2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-(1-piperidylsulfonyl)chroman-4-yl]anilino)acetate CAS Name: 2-(N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]anilino)acetate Traditional Name: 2-(N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-piperidinosulfonyl-chroman-4-yl]anilino)acetic acid ethyl ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1C(C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)(C)C)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN([C@@H]1[C@H](C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCC3)(C)C)O)C4=CC=CC=C4

InChI

InChI=1S/C26H34N2O6S/c1-4-33-23(29)18-28(19-11-7-5-8-12-19)24-21-17-20(35(31,32)27-15-9-6-10-16-27)13-14-22(21)34-26(2,3)25(24)30/h5,7-8,11-14,17,24-25,30H,4,6,9-10,15-16,18H2,1-3H3/t24-,25+/m0/s1