N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidino]sulfonyl-benzamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S2/c1-13-4-2-3-11-24(13)29(26,27)16-8-5-14(6-9-16)19(25)23-20-22-17-10-7-15(21)12-18(17)28-20/h5-10,12-13H,2-4,11H2,1H3,(H,22,23,25)/t13-/m0/s1