2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3-cyano-2-thienyl)acetamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H22N4O3S2/c20-13-15-9-12-27-19(15)22-18(24)14-21-16-5-7-17(8-6-16)28(25,26)23-10-3-1-2-4-11-23/h5-9,12,21H,1-4,10-11,14H2,(H,22,24)