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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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