[4-[1-(4-chlorophenyl)piperidin-4-yl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate

Systemtic Name: [4-[1-(4-chlorophenyl)piperidin-4-yl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate Openeye Name: [4-[1-(4-chlorophenyl)-4-piperidyl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[1-(4-chlorophenyl)-4-piperidinyl]-2-morpholinyl]methyl ester IUPAC Name: [4-[1-(4-chlorophenyl)piperidin-4-yl]morpholin-2-yl]methyl 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[1-(4-chlorophenyl)-4-piperidyl]morpholin-2-yl]methyl ester Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCOC(C2)COS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1N2CCOC(C2)COS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O6S/c23-17-4-6-18(7-5-17)24-10-8-19(9-11-24)25-12-13-31-21(15-25)16-32-33(29,30)22-3-1-2-20(14-22)26(27)28/h1-7,14,19,21H,8-13,15-16H2