4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]benzoic acid Formula: C20H22FN3O5S MolecularWeight: 435.469183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22FN3O5S/c21-16-4-8-18(9-5-16)30(28,29)24-11-1-10-23(12-13-24)14-19(25)22-17-6-2-15(3-7-17)20(26)27/h2-9H,1,10-14H2,(H,22,25)(H,26,27)