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

Systemtic Name: N-[3-(2-azanyl-1,3-benzothiazol-6-yl)-3-oxidanyl-2-[4-(phenylmethyl)piperidin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzyl-1-piperidyl)-3-hydroxy-propyl]benzenesulfonamide CAS Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-3-hydroxy-2-[4-(phenylmethyl)-1-piperidinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidin-1-yl)-3-hydroxypropyl]benzenesulfonamide Traditional Name: N-[3-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidino)-3-hydroxy-propyl]benzenesulfonamide Formula: C28H32N4O3S2 MolecularWeight: 536.70868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3)C(C4=CC5=C(C=C4)N=C(S5)N)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3)C(C4=CC5=C(C=C4)N=C(S5)N)O

InChI

InChI=1S/C28H32N4O3S2/c29-28-31-24-12-11-22(18-26(24)36-28)27(33)25(19-30-37(34,35)23-9-5-2-6-10-23)32-15-13-21(14-16-32)17-20-7-3-1-4-8-20/h1-12,18,21,25,27,30,33H,13-17,19H2,(H2,29,31)