4-[[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]methyl]-2-chloranyl-6-methoxy-phenol

Systemtic Name: 4-[[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]methyl]-2-chloranyl-6-methoxy-phenol Openeye Name: 4-[[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]amino]methyl]-2-chloro-6-methoxy-phenol CAS Name: 4-[[[1-(1,3-benzothiazol-2-yl)-3-piperidinyl]amino]methyl]-2-chloro-6-methoxyphenol IUPAC Name: 4-[[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]methyl]-2-chloro-6-methoxyphenol Traditional Name: 4-[[[1-(1,3-benzothiazol-2-yl)-3-piperidyl]amino]methyl]-2-chloro-6-methoxy-phenol Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCCN(C2)C3=NC4=CC=CC=C4S3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCCN(C2)C3=NC4=CC=CC=C4S3)Cl)O

InChI

InChI=1S/C20H22ClN3O2S/c1-26-17-10-13(9-15(21)19(17)25)11-22-14-5-4-8-24(12-14)20-23-16-6-2-3-7-18(16)27-20/h2-3,6-7,9-10,14,22,25H,4-5,8,11-12H2,1H3