3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide Openeye Name: N-(4-allyloxyphenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(4-prop-2-enoxyphenyl)benzamide Traditional Name: N-(4-allyloxyphenyl)-3-[(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(=CC=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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