N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide Openeye Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide CAS Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-1-(2-pyrazinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide Traditional Name: N-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylphenyl]-1-pyrazin-2-yl-isonipecotamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=CN=C4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=CN=C4)C

InChI

InChI=1S/C23H31N5O3S/c1-17-13-18(2)16-28(15-17)32(30,31)21-5-3-20(4-6-21)26-23(29)19-7-11-27(12-8-19)22-14-24-9-10-25-22/h3-6,9-10,14,17-19H,7-8,11-13,15-16H2,1-2H3,(H,26,29)/t17-,18-/m0/s1