2-[(3S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21BrN2O4S2/c1-26-16-10-14(21)19(11-17(16)27-2)29(24,25)23-9-5-6-13(12-23)20-22-15-7-3-4-8-18(15)28-20/h3-4,7-8,10-11,13H,5-6,9,12H2,1-2H3/t13-/m0/s1