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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-tosyl-propionamide Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S2/c1-18-7-11-21(12-8-18)31(27,28)16-13-23(26)24-20-10-9-19(2)22(17-20)32(29,30)25-14-5-3-4-6-15-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,24,26)