methyl (2S)-3-(2-buta-2,3-dien-2-yl-1H-indol-3-yl)-2-[(2,4-dinitrophenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S)-3-(2-buta-2,3-dien-2-yl-1H-indol-3-yl)-2-[(2,4-dinitrophenyl)sulfonylamino]propanoate Openeye Name: methyl (2S)-2-[(2,4-dinitrophenyl)sulfonylamino]-3-[2-(1-methylpropa-1,2-dienyl)-1H-indol-3-yl]propanoate CAS Name: (2S)-3-(2-buta-2,3-dien-2-yl-1H-indol-3-yl)-2-[(2,4-dinitrophenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(2-buta-2,3-dien-2-yl-1H-indol-3-yl)-2-[(2,4-dinitrophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(2,4-dinitrophenyl)sulfonylamino]-3-[2-(1-methylpropa-1,2-dienyl)-1H-indol-3-yl]propionic acid methyl ester Formula: C22H20N4O8S MolecularWeight: 500.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=C)C1=C(C2=CC=CC=C2N1)CC(C(=O)OC)NS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=C=C)C1=C(C2=CC=CC=C2N1)C[C@@H](C(=O)OC)NS(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O8S/c1-4-13(2)21-16(15-7-5-6-8-17(15)23-21)12-18(22(27)34-3)24-35(32,33)20-10-9-14(25(28)29)11-19(20)26(30)31/h5-11,18,23-24H,1,12H2,2-3H3/t18-/m0/s1