1-cyclohexyl-N-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]methanesulfonamide

Systemtic Name: 1-cyclohexyl-N-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]methanesulfonamide Openeye Name: 1-cyclohexyl-N-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]methanesulfonamide CAS Name: 1-cyclohexyl-N-methyl-N-[4-[4-(3-nitrophenyl)-1-piperazinyl]butyl]methanesulfonamide IUPAC Name: 1-cyclohexyl-N-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]methanesulfonamide Traditional Name: 1-cyclohexyl-N-methyl-N-[4-[4-(3-nitrophenyl)piperazino]butyl]methanesulfonamide Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3CCCCC3

Isomeric SMILES

CN(CCCCN1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3CCCCC3

InChI

InChI=1S/C22H36N4O4S/c1-23(31(29,30)19-20-8-3-2-4-9-20)12-5-6-13-24-14-16-25(17-15-24)21-10-7-11-22(18-21)26(27)28/h7,10-11,18,20H,2-6,8-9,12-17,19H2,1H3