N-(3-cyanophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(3-cyanophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(3-cyanophenyl)benzamide CAS Name: N-(3-cyanophenyl)-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(3-cyanophenyl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(3-cyanophenyl)benzamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H24N4O3S/c26-18-21-8-4-10-23(16-21)27-25(30)22-9-5-11-24(17-22)33(31,32)29-14-12-28(13-15-29)19-20-6-2-1-3-7-20/h1-11,16-17H,12-15,19H2,(H,27,30)