(4-butylcyclohexyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butylcyclohexyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4-butylcyclohexyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4-butylcyclohexyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-butylcyclohexyl)-[4-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4-butylcyclohexyl)-[4-(4-mesyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C23H33N3O3S2 MolecularWeight: 463.65642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H33N3O3S2/c1-3-4-6-17-9-11-18(12-10-17)22(27)25-13-15-26(16-14-25)23-24-21-19(30-23)7-5-8-20(21)31(2,28)29/h5,7-8,17-18H,3-4,6,9-16H2,1-2H3