2-[1-(2-bromophenyl)ethylamino]-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-(2-bromophenyl)ethylamino]-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-[1-(2-bromophenyl)ethylamino]-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[1-(2-bromophenyl)ethylamino]-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(2-bromophenyl)ethylamino]-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-[1-(2-bromophenyl)ethylamino]-5-piperidinosulfonyl-benzoic acid Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C20H23BrN2O4S/c1-14(16-7-3-4-8-18(16)21)22-19-10-9-15(13-17(19)20(24)25)28(26,27)23-11-5-2-6-12-23/h3-4,7-10,13-14,22H,2,5-6,11-12H2,1H3,(H,24,25)