4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-N,N-diethyl-benzenesulfonamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N3O3S2/c1-3-28(4-2)33(30,31)21-12-9-19(10-13-21)11-14-24(29)27-17-15-20(16-18-27)25-26-22-7-5-6-8-23(22)32-25/h5-10,12-13,20H,3-4,11,14-18H2,1-2H3