2-azanyl-3-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-propanoate

Systemtic Name: 2-azanyl-3-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-propanoate Openeye Name: 2-amino-3-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-propanoate CAS Name: 2-amino-3-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)sulfonylpropanoate IUPAC Name: 2-amino-3-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)sulfonylpropanoate Traditional Name: 2-amino-3-(4-bromophenyl)-2-mesitylsulfonyl-propionate Formula: C18H19BrNO4S- MolecularWeight: 425.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)C(CC2=CC=C(C=C2)Br)(C(=O)[O-])N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)C(CC2=CC=C(C=C2)Br)(C(=O)[O-])N)C

InChI

InChI=1S/C18H20BrNO4S/c1-11-8-12(2)16(13(3)9-11)25(23,24)18(20,17(21)22)10-14-4-6-15(19)7-5-14/h4-9H,10,20H2,1-3H3,(H,21,22)/p-1