methyl (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoate Openeye Name: methyl (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoate CAS Name: (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoate Traditional Name: (2S)-2-(carbomethoxyamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propionic acid methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)OC)NC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C[C@@H](C(=O)OC)NC(=O)OC

InChI

InChI=1S/C21H22N2O7S/c1-28-15-8-10-16(11-9-15)31(26,27)23-13-14(17-6-4-5-7-19(17)23)12-18(20(24)29-2)22-21(25)30-3/h4-11,13,18H,12H2,1-3H3,(H,22,25)/t18-/m0/s1