tert-butyl 3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: tert-butyl 3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]propanoate Openeye Name: tert-butyl 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-3-(4-hydroxyphenyl)propionic acid tert-butyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H31NO6S/c1-27(2,3)34-26(30)25(18-20-10-12-22(29)13-11-20)28(19-21-8-6-5-7-9-21)35(31,32)24-16-14-23(33-4)15-17-24/h5-17,25,29H,18-19H2,1-4H3