N-[3-(azepan-1-yl)propyl]-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[3-(1-azepanyl)propyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[3-(azepan-1-yl)propyl]-4-(5-chloro-N-mesyl-2-methyl-anilino)butyramide Formula: C21H34ClN3O3S MolecularWeight: 444.03096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCCN2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C21H34ClN3O3S/c1-18-10-11-19(22)17-20(18)25(29(2,27)28)16-7-9-21(26)23-12-8-15-24-13-5-3-4-6-14-24/h10-11,17H,3-9,12-16H2,1-2H3,(H,23,26)