2-[[(S)-[5-bromanyl-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenyl-methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(S)-[5-bromanyl-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenyl-methyl]azaniumyl]ethanoate Openeye Name: 2-[[(S)-[5-bromo-2-(p-tolylsulfonylamino)phenyl]-phenyl-methyl]ammonio]acetate CAS Name: 2-[[(S)-[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]ammonio]acetate IUPAC Name: 2-[[(S)-[5-bromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-phenylmethyl]azaniumyl]acetate Traditional Name: 2-[[(S)-[5-bromo-2-(tosylamino)phenyl]-phenyl-methyl]ammonio]acetate Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)[NH2+]CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)[C@H](C3=CC=CC=C3)[NH2+]CC(=O)[O-]

InChI

InChI=1S/C22H21BrN2O4S/c1-15-7-10-18(11-8-15)30(28,29)25-20-12-9-17(23)13-19(20)22(24-14-21(26)27)16-5-3-2-4-6-16/h2-13,22,24-25H,14H2,1H3,(H,26,27)/t22-/m0/s1