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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-(3-chloro-N-mesyl-4-methoxy-anilino)butyramide Formula: C20H32ClN3O4S MolecularWeight: 446.00378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCCN2CCCCCC2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCCN2CCCCCC2)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H32ClN3O4S/c1-28-19-10-9-17(16-18(19)21)24(29(2,26)27)14-7-8-20(25)22-11-15-23-12-5-3-4-6-13-23/h9-10,16H,3-8,11-15H2,1-2H3,(H,22,25)