4-(4-fluorophenyl)sulfonyl-N-[2-[(2-nitrophenyl)amino]ethyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[2-[(2-nitrophenyl)amino]ethyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(2-nitroanilino)ethyl]-1,4-diazepane-1-carboxamide Formula: C20H24FN5O5S MolecularWeight: 465.498463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24FN5O5S/c21-16-6-8-17(9-7-16)32(30,31)25-13-3-12-24(14-15-25)20(27)23-11-10-22-18-4-1-2-5-19(18)26(28)29/h1-2,4-9,22H,3,10-15H2,(H,23,27)