N-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3-oxidanyl-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-hydroxy-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3-hydroxyphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-hydroxyphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-hydroxy-phenyl]-3-nitro-benzenesulfonamide Formula: C24H23FN4O8S2 MolecularWeight: 578.589823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H23FN4O8S2/c25-17-5-8-20(9-6-17)39(36,37)28-12-2-11-27(13-14-28)24(31)22-10-7-18(15-23(22)30)26-38(34,35)21-4-1-3-19(16-21)29(32)33/h1,3-10,15-16,26,30H,2,11-14H2