[2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl] methanesulfonate

Systemtic Name: [2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl] methanesulfonate Openeye Name: [2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-3-oxo-3-pyrrolidin-1-yl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-3-oxo-3-(1-pyrrolidinyl)propyl] ester IUPAC Name: [2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-3-oxo-3-pyrrolidin-1-ylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [3-keto-2-methyl-2-[3-nitro-4-(phenethylamino)phenyl]-3-pyrrolidino-propyl] ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C)(C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

Isomeric SMILES

CC(COS(=O)(=O)C)(C1=CC(=C(C=C1)NCCC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

InChI

InChI=1S/C23H29N3O6S/c1-23(17-32-33(2,30)31,22(27)25-14-6-7-15-25)19-10-11-20(21(16-19)26(28)29)24-13-12-18-8-4-3-5-9-18/h3-5,8-11,16,24H,6-7,12-15,17H2,1-2H3