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

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

Isomeric SMILES

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

InChI

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