(2S)-2-[(4-bromanylnaphthalen-1-yl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-bromanylnaphthalen-1-yl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-bromo-1-naphthyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[(4-bromo-1-naphthalenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4-bromonaphthalen-1-yl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-bromo-1-naphthyl)sulfonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H17BrN2O4S/c22-17-9-10-20(16-7-2-1-6-15(16)17)29(27,28)24-19(21(25)26)11-13-12-23-18-8-4-3-5-14(13)18/h1-10,12,19,23-24H,11H2,(H,25,26)/t19-/m0/s1