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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCCN2CCCCCC2)S(=O)(=O)C)Cl

InChI

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