4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide

Systemtic Name: 4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide Openeye Name: N-(4-allyloxyphenyl)-4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide Traditional Name: N-(4-allyloxyphenyl)-4-[(4-besylpiperazino)methyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-2-20-34-25-14-12-24(13-15-25)28-27(31)23-10-8-22(9-11-23)21-29-16-18-30(19-17-29)35(32,33)26-6-4-3-5-7-26/h2-15H,1,16-21H2,(H,28,31)