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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-18-6-9-21(16-22(18)31(29,30)27-14-4-2-3-5-15-27)25-17-23(28)26-20-10-7-19(8-11-20)12-13-24/h6-11,16,25H,2-5,12,14-15,17H2,1H3,(H,26,28)