[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-[1-(2-thienylsulfonyl)-2-piperidyl]methanone Formula: C21H23BrN4O3S3 MolecularWeight: 555.53132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H23BrN4O3S3/c22-15-6-7-16-18(14-15)31-21(23-16)25-11-9-24(10-12-25)20(27)17-4-1-2-8-26(17)32(28,29)19-5-3-13-30-19/h3,5-7,13-14,17H,1-2,4,8-12H2