N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chlorophenyl)sulfonyl-propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chlorophenyl)sulfonyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chlorophenyl)sulfonyl-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-chlorophenyl)sulfonylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-chlorophenyl)sulfonylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chlorophenyl)sulfonyl-propionamide Formula: C22H27ClN2O5S2 MolecularWeight: 499.04318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27ClN2O5S2/c1-17-6-9-19(16-21(17)32(29,30)25-13-4-2-3-5-14-25)24-22(26)12-15-31(27,28)20-10-7-18(23)8-11-20/h6-11,16H,2-5,12-15H2,1H3,(H,24,26)