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

Systemtic Name: (3S)-3-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: (3S)-3-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: (3S)-3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate IUPAC Name: (3S)-3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (3S)-3-(brosylamino)-3-phenyl-propionate Formula: C15H13BrNO4S- MolecularWeight: 383.23702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(10-15(18)19)11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/p-1/t14-/m0/s1