4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-[1]benzothiolo[2,3-b]pyridin-2-yl]cyclohexane-1-sulfonamide

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-[1]benzothiolo[2,3-b]pyridin-2-yl]cyclohexane-1-sulfonamide Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]benzothiopheno[2,3-b]pyridin-2-yl]cyclohexanesulfonamide CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-b]pyridin-2-yl]-1-cyclohexanesulfonamide IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-[1]benzothiolo[2,3-b]pyridin-2-yl]cyclohexane-1-sulfonamide Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]benzothiopheno[2,3-b]pyridin-2-yl]cyclohexanesulfonamide Formula: C25H26ClN3O3S2 MolecularWeight: 516.07524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C4=CC=CC=C4S3)C5CCC(CC5)S(=O)(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=CC(=NC3=C2C4=CC=CC=C4S3)C5CCC(CC5)S(=O)(=O)N)Cl

InChI

InChI=1S/C25H26ClN3O3S2/c1-32-22-11-6-15(12-19(22)26)14-28-21-13-20(16-7-9-17(10-8-16)34(27,30)31)29-25-24(21)18-4-2-3-5-23(18)33-25/h2-6,11-13,16-17H,7-10,14H2,1H3,(H,28,29)(H2,27,30,31)