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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C23H22BrN3O3S2 MolecularWeight: 532.47308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

InChI

InChI=1S/C23H22BrN3O3S2/c1-3-12-27-20-11-8-18(24)14-21(20)31-23(27)25-22(28)17-6-9-19(10-7-17)32(29,30)26-13-4-5-16(2)15-26/h1,6-11,14,16H,4-5,12-13,15H2,2H3