3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethylphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethylphenyl)propionamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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