1-[5-[(2-bromophenyl)sulfonylamino]-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-[(2-bromophenyl)sulfonylamino]-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(benzylamino)-5-[(2-bromophenyl)sulfonylamino]pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-[(2-bromophenyl)sulfonylamino]-4-[(phenylmethyl)amino]-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(benzylamino)-5-[(2-bromophenyl)sulfonylamino]pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(benzylamino)-5-[(2-bromophenyl)sulfonylamino]pyrimidin-2-yl]isonipecotic acid Formula: C23H24BrN5O4S MolecularWeight: 546.43676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=C(C(=N2)NCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=C(C(=N2)NCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H24BrN5O4S/c24-18-8-4-5-9-20(18)34(32,33)28-19-15-26-23(29-12-10-17(11-13-29)22(30)31)27-21(19)25-14-16-6-2-1-3-7-16/h1-9,15,17,28H,10-14H2,(H,30,31)(H,25,26,27)