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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-cyanophenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-cyanophenyl)acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O3S/c22-15-17-8-10-18(11-9-17)24-21(26)16-23-19-6-5-7-20(14-19)29(27,28)25-12-3-1-2-4-13-25/h5-11,14,23H,1-4,12-13,16H2,(H,24,26)