4-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(4-dimethylaminophenyl)methyl]-N-[(3R)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-[(3R)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(4-dimethylaminophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[4-(dimethylamino)benzyl]-N-[(3R)-2-ketoazepan-3-yl]benzenesulfonamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN([C@@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-24(2)18-10-6-16(7-11-18)15-25(20-5-3-4-14-23-21(20)26)29(27,28)19-12-8-17(22)9-13-19/h6-13,20H,3-5,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1