N-(1,3-benzodioxol-5-yl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(1,3-benzodioxol-5-yl)benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1,3-benzodioxol-5-yl)benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(4-besylpiperazino)methyl]benzamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O5S/c29-25(26-21-9-10-23-24(16-21)33-18-32-23)20-6-4-5-19(15-20)17-27-11-13-28(14-12-27)34(30,31)22-7-2-1-3-8-22/h1-10,15-16H,11-14,17-18H2,(H,26,29)