(2R)-3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanoic acid

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propanoic acid Openeye Name: (2R)-3-(1H-indol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-anilino)propanoic acid CAS Name: (2R)-3-(1H-indol-3-yl)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]propanoic acid IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(4-morpholinosulfonyl-2-nitro-anilino)propionic acid Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NC(CC3=CNC4=CC=CC=C43)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c26-21(27)19(11-14-13-22-17-4-2-1-3-16(14)17)23-18-6-5-15(12-20(18)25(28)29)33(30,31)24-7-9-32-10-8-24/h1-6,12-13,19,22-23H,7-11H2,(H,26,27)/t19-/m1/s1