1-(2-azanyl-1,3-benzothiazol-6-yl)-2-[4-(phenylmethyl)piperidin-1-yl]propane-1,3-diol

Systemtic Name: 1-(2-azanyl-1,3-benzothiazol-6-yl)-2-[4-(phenylmethyl)piperidin-1-yl]propane-1,3-diol Openeye Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzyl-1-piperidyl)propane-1,3-diol CAS Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-[4-(phenylmethyl)-1-piperidinyl]propane-1,3-diol IUPAC Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidin-1-yl)propane-1,3-diol Traditional Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidino)propane-1,3-diol Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(CO)C(C3=CC4=C(C=C3)N=C(S4)N)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(CO)C(C3=CC4=C(C=C3)N=C(S4)N)O

InChI

InChI=1S/C22H27N3O2S/c23-22-24-18-7-6-17(13-20(18)28-22)21(27)19(14-26)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16,19,21,26-27H,8-12,14H2,(H2,23,24)