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

Systemtic Name: 1-[5-(ethylsulfonylamino)-4-[(phenylmethyl)amino]pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(benzylamino)-5-(ethylsulfonylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-(ethylsulfonylamino)-4-[(phenylmethyl)amino]-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(benzylamino)-5-(ethylsulfonylamino)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(benzylamino)-5-(esylamino)pyrimidin-2-yl]isonipecotic acid Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CN=C(N=C1NCC2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCS(=O)(=O)NC1=CN=C(N=C1NCC2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H25N5O4S/c1-2-29(27,28)23-16-13-21-19(24-10-8-15(9-11-24)18(25)26)22-17(16)20-12-14-6-4-3-5-7-14/h3-7,13,15,23H,2,8-12H2,1H3,(H,25,26)(H,20,21,22)