4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylbenzenecarbonitrile hydrochloride

Systemtic Name: 4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylbenzenecarbonitrile hydrochloride Openeye Name: 4-(4-methyl-2-phenyl-piperazin-1-yl)sulfonylbenzonitrile hydrochloride CAS Name: 4-[(4-methyl-2-phenyl-1-piperazinyl)sulfonyl]benzonitrile hydrochloride IUPAC Name: 4-(4-methyl-2-phenylpiperazin-1-yl)sulfonylbenzonitrile hydrochloride Traditional Name: 4-(4-methyl-2-phenyl-piperazino)sulfonylbenzonitrile hydrochloride Formula: C18H20ClN3O2S MolecularWeight: 377.8883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C18H19N3O2S.ClH/c1-20-11-12-21(18(14-20)16-5-3-2-4-6-16)24(22,23)17-9-7-15(13-19)8-10-17;/h2-10,18H,11-12,14H2,1H3;1H