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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(3-chloro-N-mesyl-4-methoxy-anilino)butyramide Formula: C24H32ClN3O6S2 MolecularWeight: 558.11038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C24H32ClN3O6S2/c1-34-23-14-11-20(18-22(23)25)28(35(2,30)31)17-7-8-24(29)26-19-9-12-21(13-10-19)36(32,33)27-15-5-3-4-6-16-27/h9-14,18H,3-8,15-17H2,1-2H3,(H,26,29)