(2R)-2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-(1H-indol-3-yl)propionate Formula: C19H18BrN2O5S- MolecularWeight: 466.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C19H19BrN2O5S/c1-2-27-17-8-7-13(20)10-18(17)28(25,26)22-16(19(23)24)9-12-11-21-15-6-4-3-5-14(12)15/h3-8,10-11,16,21-22H,2,9H2,1H3,(H,23,24)/p-1/t16-/m1/s1