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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c22-20-13-18(9-8-16(20)14-23)25-21(27)15-24-17-6-5-7-19(12-17)30(28,29)26-10-3-1-2-4-11-26/h5-9,12-13,24H,1-4,10-11,15H2,(H,25,27)