5-[(3R)-4-(3-ethanoylphenyl)sulfonyl-3-methyl-piperazin-1-yl]pyridine-2-carbonitrile

Systemtic Name: 5-[(3R)-4-(3-ethanoylphenyl)sulfonyl-3-methyl-piperazin-1-yl]pyridine-2-carbonitrile Openeye Name: 5-[(3R)-4-(3-acetylphenyl)sulfonyl-3-methyl-piperazin-1-yl]pyridine-2-carbonitrile CAS Name: 5-[(3R)-4-(3-acetylphenyl)sulfonyl-3-methyl-1-piperazinyl]-2-pyridinecarbonitrile IUPAC Name: 5-[(3R)-4-(3-acetylphenyl)sulfonyl-3-methylpiperazin-1-yl]pyridine-2-carbonitrile Traditional Name: 5-[(3R)-4-(3-acetylphenyl)sulfonyl-3-methyl-piperazino]picolinonitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)C)C3=CN=C(C=C3)C#N

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)C)C3=CN=C(C=C3)C#N

InChI

InChI=1S/C19H20N4O3S/c1-14-13-22(18-7-6-17(11-20)21-12-18)8-9-23(14)27(25,26)19-5-3-4-16(10-19)15(2)24/h3-7,10,12,14H,8-9,13H2,1-2H3/t14-/m1/s1