3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C22H27ClN2O4S MolecularWeight: 450.97878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O4S/c1-29-21-12-9-18(16-20(21)23)24-22(26)13-8-17-6-10-19(11-7-17)30(27,28)25-14-4-2-3-5-15-25/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,24,26)