6-(1,3-benzothiazol-2-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(methylsulfonylamino)phenyl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-N-[[3-(methanesulfonamido)phenyl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-N-[3-(methanesulfonamido)benzyl]cyclohex-3-ene-1-carboxamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)C2CC=CCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S2/c1-30(27,28)25-16-8-6-7-15(13-16)14-23-21(26)17-9-2-3-10-18(17)22-24-19-11-4-5-12-20(19)29-22/h2-8,11-13,17-18,25H,9-10,14H2,1H3,(H,23,26)