tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(E)-2-[3-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethyl)pyrrol-1-yl]ethenyl]-1,3-dioxan-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(E)-2-[3-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethyl)pyrrol-1-yl]ethenyl]-1,3-dioxan-4-yl]ethanoate Openeye Name: tert-butyl 2-[(4R,6S)-6-[(E)-2-[5-benzyl-2-phenyl-3-(p-tolylsulfonyl)pyrrol-1-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate CAS Name: 2-[(4R,6S)-2,2-dimethyl-6-[(E)-2-[3-(4-methylphenyl)sulfonyl-2-phenyl-5-(phenylmethyl)-1-pyrrolyl]ethenyl]-1,3-dioxan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4R,6S)-6-[(E)-2-[5-benzyl-3-(4-methylphenyl)sulfonyl-2-phenylpyrrol-1-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[(4R,6S)-6-[(E)-2-(5-benzyl-2-phenyl-3-tosyl-pyrrol-1-yl)vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester Formula: C38H43NO6S MolecularWeight: 641.81612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2)CC3=CC=CC=C3)C=CC4CC(OC(O4)(C)C)CC(=O)OC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2)CC3=CC=CC=C3)/C=C/[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C38H43NO6S/c1-27-17-19-33(20-18-27)46(41,42)34-24-30(23-28-13-9-7-10-14-28)39(36(34)29-15-11-8-12-16-29)22-21-31-25-32(44-38(5,6)43-31)26-35(40)45-37(2,3)4/h7-22,24,31-32H,23,25-26H2,1-6H3/b22-21+/t31-,32-/m1/s1