3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3S/c1-19(2)23-10-8-9-20(3)25(23)26-24(28)16-13-21-11-14-22(15-12-21)31(29,30)27-17-6-4-5-7-18-27/h8-12,14-15,19H,4-7,13,16-18H2,1-3H3,(H,26,28)