(2R)-3-(1H-indol-3-yl)-2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate Openeye Name: (2R)-3-(1H-indol-3-yl)-2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonylamino]propionate Formula: C20H18N3O6S- MolecularWeight: 428.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)[O-])NC(=O)CO2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)[O-])NC(=O)CO2

InChI

InChI=1S/C20H19N3O6S/c1-11-6-17-15(22-19(24)10-29-17)8-18(11)30(27,28)23-16(20(25)26)7-12-9-21-14-5-3-2-4-13(12)14/h2-6,8-9,16,21,23H,7,10H2,1H3,(H,22,24)(H,25,26)/p-1/t16-/m1/s1