4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cycloheptyl-benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cycloheptyl-benzenesulfonamide Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N-cycloheptyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N-cycloheptylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cycloheptylbenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-N-cycloheptyl-benzenesulfonamide Formula: C25H31N3O4S3 MolecularWeight: 533.72634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H31N3O4S3/c29-34(30,27-20-7-3-1-2-4-8-20)21-11-13-22(14-12-21)35(31,32)28-17-15-19(16-18-28)25-26-23-9-5-6-10-24(23)33-25/h5-6,9-14,19-20,27H,1-4,7-8,15-18H2