methyl 3-[6-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[6-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[6-(p-tolylsulfonyloxy)-1H-indol-3-yl]propanoate CAS Name: 3-[6-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[6-(4-methylphenyl)sulfonyloxy-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(6-tosyloxy-1H-indol-3-yl)propionic acid methyl ester Formula: C27H26N2O7S MolecularWeight: 522.56954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CN3)CC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CN3)CC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O7S/c1-18-8-11-22(12-9-18)37(32,33)36-21-10-13-23-20(16-28-24(23)15-21)14-25(26(30)34-2)29-27(31)35-17-19-6-4-3-5-7-19/h3-13,15-16,25,28H,14,17H2,1-2H3,(H,29,31)