3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,6-dimethylphenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,6-dimethylphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,6-dimethylphenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2,6-dimethylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,6-dimethylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,6-dimethylphenyl)propionamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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