(3S)-4-(5-cyanopyridin-2-yl)-N-[6-(hydroxymethyl)pyridin-2-yl]-3-methyl-piperazine-1-sulfonamide

Systemtic Name: (3S)-4-(5-cyanopyridin-2-yl)-N-[6-(hydroxymethyl)pyridin-2-yl]-3-methyl-piperazine-1-sulfonamide Openeye Name: (3S)-4-(5-cyano-2-pyridyl)-N-[6-(hydroxymethyl)-2-pyridyl]-3-methyl-piperazine-1-sulfonamide CAS Name: (3S)-4-(5-cyano-2-pyridinyl)-N-[6-(hydroxymethyl)-2-pyridinyl]-3-methyl-1-piperazinesulfonamide IUPAC Name: (3S)-4-(5-cyanopyridin-2-yl)-N-[6-(hydroxymethyl)pyridin-2-yl]-3-methylpiperazine-1-sulfonamide Traditional Name: (3S)-4-(5-cyano-2-pyridyl)-3-methyl-N-(6-methylol-2-pyridyl)piperazine-1-sulfonamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)NC3=CC=CC(=N3)CO

Isomeric SMILES

C[C@H]1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)NC3=CC=CC(=N3)CO

InChI

InChI=1S/C17H20N6O3S/c1-13-11-22(7-8-23(13)17-6-5-14(9-18)10-19-17)27(25,26)21-16-4-2-3-15(12-24)20-16/h2-6,10,13,24H,7-8,11-12H2,1H3,(H,20,21)/t13-/m0/s1