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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S2/c1-13-3-2-10-24(12-13)29(26,27)16-7-4-14(5-8-16)19(25)23-20-22-17-9-6-15(21)11-18(17)28-20/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,23,25)