N-[3-(2-azanyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]propyl]methanesulfonamide

Systemtic Name: N-[3-(2-azanyl-1,3-benzothiazol-6-yl)-3-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]propyl]methanesulfonamide Openeye Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzyl-1-piperidyl)-3-oxo-propyl]methanesulfonamide CAS Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-3-oxo-2-[4-(phenylmethyl)-1-piperidinyl]propyl]methanesulfonamide IUPAC Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide Traditional Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidino)-3-keto-propyl]methanesulfonamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC(C(=O)C1=CC2=C(C=C1)N=C(S2)N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NCC(C(=O)C1=CC2=C(C=C1)N=C(S2)N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3S2/c1-32(29,30)25-15-20(22(28)18-7-8-19-21(14-18)31-23(24)26-19)27-11-9-17(10-12-27)13-16-5-3-2-4-6-16/h2-8,14,17,20,25H,9-13,15H2,1H3,(H2,24,26)