tert-butyl 2-[3-[[phenylsulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[[phenylsulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[[benzenesulfonyl-[[4-(3-pyridyl)phenyl]methyl]amino]methyl]phenoxy]acetate CAS Name: 2-[3-[[benzenesulfonyl-[[4-(3-pyridinyl)phenyl]methyl]amino]methyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[benzenesulfonyl-[(4-pyridin-3-ylphenyl)methyl]amino]methyl]phenoxy]acetate Traditional Name: 2-[3-[[besyl-[4-(3-pyridyl)benzyl]amino]methyl]phenoxy]acetic acid tert-butyl ester Formula: C31H32N2O5S MolecularWeight: 544.66118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)CN(CC2=CC=C(C=C2)C3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O5S/c1-31(2,3)38-30(34)23-37-28-11-7-9-25(19-28)22-33(39(35,36)29-12-5-4-6-13-29)21-24-14-16-26(17-15-24)27-10-8-18-32-20-27/h4-20H,21-23H2,1-3H3