morpholin-2-ylmethyl 4-[1-(4-chlorophenyl)piperidin-4-yl]-3-nitro-benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=C(C=C2)S(=O)(=O)OCC3CNCCO3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=C(C=C(C=C2)S(=O)(=O)OCC3CNCCO3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

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