phenyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: phenyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: phenyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[[5-(4-methylsulfonylphenyl)-2-pyrazinyl]methyl]amino]-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesylphenyl)pyrazin-2-yl]methyl-methyl-amino]piperidine-1-carboxylic acid phenyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC=C(N=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3CCN(CC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O4S/c1-28(21-12-14-29(15-13-21)25(30)33-22-6-4-3-5-7-22)18-20-16-27-24(17-26-20)19-8-10-23(11-9-19)34(2,31)32/h3-11,16-17,21H,12-15,18H2,1-2H3