3-pyridin-3-ylpropyl 2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 3-pyridin-3-ylpropyl 2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 3-(3-pyridyl)propyl 2-[(4-bromophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-bromophenyl)sulfonyl-methylamino]acetic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-[(4-bromophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[brosyl(methyl)amino]acetic acid 3-(3-pyridyl)propyl ester Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCCCC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CC(=O)OCCCC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O4S/c1-20(25(22,23)16-8-6-15(18)7-9-16)13-17(21)24-11-3-5-14-4-2-10-19-12-14/h2,4,6-10,12H,3,5,11,13H2,1H3