methyl 2-oxidanyl-2-[1-(phenylsulfonyl)indol-2-yl]-3-[(3S)-1-prop-2-enylpiperidin-3-yl]propanoate

Systemtic Name: methyl 2-oxidanyl-2-[1-(phenylsulfonyl)indol-2-yl]-3-[(3S)-1-prop-2-enylpiperidin-3-yl]propanoate Openeye Name: methyl 3-[(3S)-1-allyl-3-piperidyl]-2-[1-(benzenesulfonyl)indol-2-yl]-2-hydroxy-propanoate CAS Name: 2-[1-(benzenesulfonyl)-2-indolyl]-2-hydroxy-3-[(3S)-1-prop-2-enyl-3-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[1-(benzenesulfonyl)indol-2-yl]-2-hydroxy-3-[(3S)-1-prop-2-enylpiperidin-3-yl]propanoate Traditional Name: 3-[(3S)-1-allyl-3-piperidyl]-2-(1-besylindol-2-yl)-2-hydroxy-propionic acid methyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCN(C1)CC=C)(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C(C[C@@H]1CCCN(C1)CC=C)(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O5S/c1-3-15-27-16-9-10-20(19-27)18-26(30,25(29)33-2)24-17-21-11-7-8-14-23(21)28(24)34(31,32)22-12-5-4-6-13-22/h3-8,11-14,17,20,30H,1,9-10,15-16,18-19H2,2H3/t20-,26?/m0/s1