N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(4-chloranyl-2-methyl-phenoxy)butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(4-chloranyl-2-methyl-phenoxy)butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(4-chloro-2-methyl-phenoxy)butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(4-chloro-2-methylphenoxy)butanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(4-chloro-2-methylphenoxy)butanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(4-chloro-2-methyl-phenoxy)butyramide Formula: C24H31ClN2O5S MolecularWeight: 495.03134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H31ClN2O5S/c1-18-16-19(25)9-11-22(18)32-15-7-8-24(28)26-21-17-20(10-12-23(21)31-2)33(29,30)27-13-5-3-4-6-14-27/h9-12,16-17H,3-8,13-15H2,1-2H3,(H,26,28)