4-chloranyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(3-methylbenzothiophen-2-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-(2-ketoazepan-3-yl)-N-[(3-methylbenzothiophen-2-yl)methyl]benzenesulfonamide Formula: C22H23ClN2O3S2 MolecularWeight: 463.01262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O3S2/c1-15-18-6-2-3-8-20(18)29-21(15)14-25(19-7-4-5-13-24-22(19)26)30(27,28)17-11-9-16(23)10-12-17/h2-3,6,8-12,19H,4-5,7,13-14H2,1H3,(H,24,26)