N-[3-methyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[3-methyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: N-[3-methyl-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: N-[4-[(3-mesylbenzoyl)amino]-3-methyl-phenyl]-1-(2-pyrimidyl)nipecotamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H27N5O4S/c1-17-14-20(28-24(32)19-7-4-13-30(16-19)25-26-11-5-12-27-25)9-10-22(17)29-23(31)18-6-3-8-21(15-18)35(2,33)34/h3,5-6,8-12,14-15,19H,4,7,13,16H2,1-2H3,(H,28,32)(H,29,31)