4-[(3S)-4-(4-cyanophenyl)sulfonyl-3-methyl-piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[(3S)-4-(4-cyanophenyl)sulfonyl-3-methyl-piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[(3S)-4-(4-cyanophenyl)sulfonyl-3-methyl-piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[(3S)-4-(4-cyanophenyl)sulfonyl-3-methyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[(3S)-4-(4-cyanophenyl)sulfonyl-3-methylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[(3S)-4-(4-cyanophenyl)sulfonyl-3-methyl-piperazino]sulfonylbenzonitrile Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S2/c1-15-14-22(28(24,25)18-6-2-16(12-20)3-7-18)10-11-23(15)29(26,27)19-8-4-17(13-21)5-9-19/h2-9,15H,10-11,14H2,1H3/t15-/m0/s1