2-azanyl-2-[2-[(4-butylphenyl)carbonylamino]phenyl]sulfonyl-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-azanyl-2-[2-[(4-butylphenyl)carbonylamino]phenyl]sulfonyl-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-amino-2-[2-[(4-butylbenzoyl)amino]phenyl]sulfonyl-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-amino-2-[2-[[(4-butylphenyl)-oxomethyl]amino]phenyl]sulfonyl-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-amino-2-[2-[(4-butylbenzoyl)amino]phenyl]sulfonyl-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-amino-2-[2-[(4-butylbenzoyl)amino]phenyl]sulfonyl-3-(1H-indol-3-yl)propionic acid Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2S(=O)(=O)C(CC3=CNC4=CC=CC=C43)(C(=O)O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2S(=O)(=O)C(CC3=CNC4=CC=CC=C43)(C(=O)O)N

InChI

InChI=1S/C28H29N3O5S/c1-2-3-8-19-13-15-20(16-14-19)26(32)31-24-11-6-7-12-25(24)37(35,36)28(29,27(33)34)17-21-18-30-23-10-5-4-9-22(21)23/h4-7,9-16,18,30H,2-3,8,17,29H2,1H3,(H,31,32)(H,33,34)