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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(3-chloro-N-mesyl-4-methoxy-anilino)propionamide Formula: C19H30ClN3O4S MolecularWeight: 431.9772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCN1CCCCCC1)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCN1CCCCCC1)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H30ClN3O4S/c1-15(19(24)21-10-13-22-11-6-4-5-7-12-22)23(28(3,25)26)16-8-9-18(27-2)17(20)14-16/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,21,24)