2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C18H21FN4O4S2 MolecularWeight: 440.512143

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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=C(C=CS3)C(=O)N

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C18H21FN4O4S2/c19-13-2-4-14(5-3-13)29(26,27)23-8-1-7-22(9-10-23)12-16(24)21-18-15(17(20)25)6-11-28-18/h2-6,11H,1,7-10,12H2,(H2,20,25)(H,21,24)