4-[(3S)-3-methyl-4-(2-methylpyridin-4-yl)carbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[(3S)-3-methyl-4-(2-methylpyridin-4-yl)carbonyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[(3S)-3-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[(3S)-3-methyl-4-[(2-methyl-4-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[(3S)-3-methyl-4-(2-methylpyridine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[(3S)-3-methyl-4-(2-methylisonicotinoyl)piperazino]sulfonylbenzonitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=NC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=CC(=NC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4O3S/c1-14-11-17(7-8-21-14)19(24)23-10-9-22(13-15(23)2)27(25,26)18-5-3-16(12-20)4-6-18/h3-8,11,15H,9-10,13H2,1-2H3/t15-/m0/s1