tert-butyl 3-[[3-(2-azanyl-1-oxidanyl-ethyl)-2-oxidanyl-phenyl]-methylsulfonyl-amino]-2-dibenzothiophen-3-yloxy-propanoate

Systemtic Name: tert-butyl 3-[[3-(2-azanyl-1-oxidanyl-ethyl)-2-oxidanyl-phenyl]-methylsulfonyl-amino]-2-dibenzothiophen-3-yloxy-propanoate Openeye Name: tert-butyl 3-[3-(2-amino-1-hydroxy-ethyl)-2-hydroxy-N-methylsulfonyl-anilino]-2-dibenzothiophen-3-yloxy-propanoate CAS Name: 3-[3-(2-amino-1-hydroxyethyl)-2-hydroxy-N-methylsulfonylanilino]-2-(3-dibenzothiophenyloxy)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(2-amino-1-hydroxyethyl)-2-hydroxy-N-methylsulfonylanilino]-2-dibenzothiophen-3-yloxypropanoate Traditional Name: 3-[3-(2-amino-1-hydroxy-ethyl)-2-hydroxy-N-mesyl-anilino]-2-dibenzothiophen-3-yloxy-propionic acid tert-butyl ester Formula: C28H32N2O7S2 MolecularWeight: 572.69288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN(C1=CC=CC(=C1O)C(CN)O)S(=O)(=O)C)OC2=CC3=C(C=C2)C4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)C(CN(C1=CC=CC(=C1O)C(CN)O)S(=O)(=O)C)OC2=CC3=C(C=C2)C4=CC=CC=C4S3

InChI

InChI=1S/C28H32N2O7S2/c1-28(2,3)37-27(33)23(36-17-12-13-19-18-8-5-6-11-24(18)38-25(19)14-17)16-30(39(4,34)35)21-10-7-9-20(26(21)32)22(31)15-29/h5-14,22-23,31-32H,15-16,29H2,1-4H3