2-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-methyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-hydroxy-4-methyl-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-hydroxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-hydroxy-4-methyl-benzoyl)piperazino]sulfonylbenzonitrile Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)O

InChI

InChI=1S/C19H19N3O4S/c1-14-6-7-16(17(23)12-14)19(24)21-8-10-22(11-9-21)27(25,26)18-5-3-2-4-15(18)13-20/h2-7,12,23H,8-11H2,1H3