N-[4-(azepan-1-ylcarbonyl)-3-chloranyl-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-3-chloranyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)-3-chloro-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-3-chlorophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)-3-chlorophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)-3-chloro-phenyl]-4-methyl-benzenesulfonamide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O3S/c1-15-6-9-17(10-7-15)27(25,26)22-16-8-11-18(19(21)14-16)20(24)23-12-4-2-3-5-13-23/h6-11,14,22H,2-5,12-13H2,1H3