4-chloranyl-N-[1H-indol-3-yl-(4-methylphenyl)sulfonyl-methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1H-indol-3-yl-(4-methylphenyl)sulfonyl-methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[1H-indol-3-yl(p-tolylsulfonyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[1H-indol-3-yl-(4-methylphenyl)sulfonylmethyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[1H-indol-3-yl-(4-methylphenyl)sulfonylmethyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-[1H-indol-3-yl(tosyl)methyl]-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C28H28ClN3O5S2 MolecularWeight: 586.12202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CNC3=CC=CC=C32)N(C4CCCCNC4=O)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CNC3=CC=CC=C32)N(C4CCCCNC4=O)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN3O5S2/c1-19-9-13-21(14-10-19)38(34,35)28(24-18-31-25-7-3-2-6-23(24)25)32(26-8-4-5-17-30-27(26)33)39(36,37)22-15-11-20(29)12-16-22/h2-3,6-7,9-16,18,26,28,31H,4-5,8,17H2,1H3,(H,30,33)