N-(3-cyclohexyloxypropyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(3-cyclohexyloxypropyl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[3-(cyclohexoxy)propyl]benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(3-cyclohexyloxypropyl)benzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-cyclohexyloxypropyl)benzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-N-[3-(cyclohexoxy)propyl]benzamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OCCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H37N3O4S/c31-27(28-16-7-21-34-25-8-3-1-4-9-25)24-14-12-23(13-15-24)22-29-17-19-30(20-18-29)35(32,33)26-10-5-2-6-11-26/h2,5-6,10-15,25H,1,3-4,7-9,16-22H2,(H,28,31)