6-[(1S,2S)-1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)butyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-[(1S,2S)-1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)butyl]-3H-1,3-benzothiazol-2-one Openeye Name: 6-[(1S,2S)-1-hydroxy-2-[4-hydroxy-4-(2-thienyl)-1-piperidyl]butyl]-3H-1,3-benzothiazol-2-one CAS Name: 6-[(1S,2S)-1-hydroxy-2-(4-hydroxy-4-thiophen-2-yl-1-piperidinyl)butyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 6-[(1S,2S)-1-hydroxy-2-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)butyl]-3H-1,3-benzothiazol-2-one Traditional Name: 6-[(1S,2S)-1-hydroxy-2-[4-hydroxy-4-(2-thienyl)piperidino]butyl]-3H-1,3-benzothiazol-2-one Formula: C20H24N2O3S2 MolecularWeight: 404.54616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=C(C=C1)NC(=O)S2)O)N3CCC(CC3)(C4=CC=CS4)O

Isomeric SMILES

CC[C@@H]([C@H](C1=CC2=C(C=C1)NC(=O)S2)O)N3CCC(CC3)(C4=CC=CS4)O

InChI

InChI=1S/C20H24N2O3S2/c1-2-15(18(23)13-5-6-14-16(12-13)27-19(24)21-14)22-9-7-20(25,8-10-22)17-4-3-11-26-17/h3-6,11-12,15,18,23,25H,2,7-10H2,1H3,(H,21,24)/t15-,18-/m0/s1