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

Systemtic Name: [2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3-oxidanylidene-3-pyrrolidin-1-yl-propyl] methanesulfonate Openeye Name: [2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitrophenyl]-3-oxo-3-(1-pyrrolidinyl)propyl] ester IUPAC Name: [2-[4-[benzyl(methyl)amino]-3-nitrophenyl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3-keto-2-methyl-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)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

Isomeric SMILES

CC(COS(=O)(=O)C)(C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)N3CCCC3

InChI

InChI=1S/C23H29N3O6S/c1-23(17-32-33(3,30)31,22(27)25-13-7-8-14-25)19-11-12-20(21(15-19)26(28)29)24(2)16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16-17H2,1-3H3