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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-tosyl-propionamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O5S2/c1-18-9-11-20(12-10-18)30(26,27)16-13-22(25)23-19-7-6-8-21(17-19)31(28,29)24-14-4-2-3-5-15-24/h6-12,17H,2-5,13-16H2,1H3,(H,23,25)