N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(E)-1-(2-fluorophenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(E)-1-(2-fluorophenyl)ethylideneamino]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H19FN4O4S MolecularWeight: 406.431263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])/C3=CC=CC=C3F

InChI

InChI=1S/C18H19FN4O4S/c1-13(15-6-2-3-7-16(15)19)20-21-17-9-8-14(12-18(17)23(24)25)28(26,27)22-10-4-5-11-22/h2-3,6-9,12,21H,4-5,10-11H2,1H3/b20-13+