N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C18H19FN4O3S2 MolecularWeight: 422.496863

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O3S2/c19-15-2-4-16(5-3-15)28(25,26)23-8-1-7-22(9-10-23)13-17(24)21-18-14(12-20)6-11-27-18/h2-6,11H,1,7-10,13H2,(H,21,24)