N-[2-(azepan-1-yl)ethyl]-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-(5-chloro-N-mesyl-2-methyl-anilino)butyramide Formula: C20H32ClN3O3S MolecularWeight: 430.00438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C20H32ClN3O3S/c1-17-9-10-18(21)16-19(17)24(28(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)