4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid IUPAC Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]benzoic acid Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21FN2O4S/c20-17-6-8-18(9-7-17)27(25,26)22-11-1-10-21(12-13-22)14-15-2-4-16(5-3-15)19(23)24/h2-9H,1,10-14H2,(H,23,24)