(3S)-4-[(4-bromophenyl)sulfonylamino]-3-phenyl-butanoate

Systemtic Name: (3S)-4-[(4-bromophenyl)sulfonylamino]-3-phenyl-butanoate Openeye Name: (3S)-4-[(4-bromophenyl)sulfonylamino]-3-phenyl-butanoate CAS Name: (3S)-4-[(4-bromophenyl)sulfonylamino]-3-phenylbutanoate IUPAC Name: (3S)-4-[(4-bromophenyl)sulfonylamino]-3-phenylbutanoate Traditional Name: (3S)-4-(brosylamino)-3-phenyl-butyrate Formula: C16H15BrNO4S- MolecularWeight: 397.2636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H16BrNO4S/c17-14-6-8-15(9-7-14)23(21,22)18-11-13(10-16(19)20)12-4-2-1-3-5-12/h1-9,13,18H,10-11H2,(H,19,20)/p-1/t13-/m1/s1