N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3-chloro-N-mesyl-4-methoxy-anilino)propionamide Formula: C24H30ClN3O5S MolecularWeight: 508.0301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)N(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)N(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C24H30ClN3O5S/c1-17(28(34(3,31)32)18-12-13-22(33-2)20(25)16-18)23(29)26-21-11-7-6-10-19(21)24(30)27-14-8-4-5-9-15-27/h6-7,10-13,16-17H,4-5,8-9,14-15H2,1-3H3,(H,26,29)