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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(3-cyanophenyl)propanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(3-cyanophenyl)propanamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(3-cyanophenyl)propanamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(3-cyanophenyl)propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C)C(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(C)C(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N4O3S/c1-17-10-11-21(15-22(17)31(29,30)27-12-5-3-4-6-13-27)25-18(2)23(28)26-20-9-7-8-19(14-20)16-24/h7-11,14-15,18,25H,3-6,12-13H2,1-2H3,(H,26,28)