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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2-chlorophenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2-chlorophenyl)acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26ClN3O3S/c1-16-10-11-17(23-15-21(26)24-19-9-5-4-8-18(19)22)14-20(16)29(27,28)25-12-6-2-3-7-13-25/h4-5,8-11,14,23H,2-3,6-7,12-13,15H2,1H3,(H,24,26)