3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethylphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethylphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethylphenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,4-dimethylphenyl)propionamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H30N2O3S/c1-18-7-13-22(19(2)17-18)24-23(26)14-10-20-8-11-21(12-9-20)29(27,28)25-15-5-3-4-6-16-25/h7-9,11-13,17H,3-6,10,14-16H2,1-2H3,(H,24,26)