methyl (2S)-2-azanyl-3-[4-[(1E)-3-methylbuta-1,3-dienyl]-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[4-[(1E)-3-methylbuta-1,3-dienyl]-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoate Openeye Name: methyl (2S)-2-amino-3-[4-[(1E)-3-methylbuta-1,3-dienyl]-1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2S)-2-amino-3-[4-[(1E)-3-methylbuta-1,3-dienyl]-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[4-[(1E)-3-methylbuta-1,3-dienyl]-1-(4-methylphenyl)sulfonylindol-3-yl]propanoate Traditional Name: (2S)-2-amino-3-[4-[(1E)-3-methylbuta-1,3-dienyl]-1-tosyl-indol-3-yl]propionic acid methyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C=CC(=C)C)CC(C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)/C=C/C(=C)C)C[C@@H](C(=O)OC)N

InChI

InChI=1S/C24H26N2O4S/c1-16(2)8-11-18-6-5-7-22-23(18)19(14-21(25)24(27)30-4)15-26(22)31(28,29)20-12-9-17(3)10-13-20/h5-13,15,21H,1,14,25H2,2-4H3/b11-8+/t21-/m0/s1