3-[(2-nitro-5-pyrrolidin-1-yl-phenyl)amino]propyl methanesulfonate

Systemtic Name: 3-[(2-nitro-5-pyrrolidin-1-yl-phenyl)amino]propyl methanesulfonate Openeye Name: 3-(2-nitro-5-pyrrolidin-1-yl-anilino)propyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-nitro-5-(1-pyrrolidinyl)anilino]propyl ester IUPAC Name: 3-(2-nitro-5-pyrrolidin-1-ylanilino)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(2-nitro-5-pyrrolidino-anilino)propyl ester Formula: C14H21N3O5S MolecularWeight: 343.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCCNC1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O5S/c1-23(20,21)22-10-4-7-15-13-11-12(16-8-2-3-9-16)5-6-14(13)17(18)19/h5-6,11,15H,2-4,7-10H2,1H3