[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(1,3-benzothiazol-2-yl)cyclohexyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(1,3-benzothiazol-2-yl)cyclohexyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(1,3-benzothiazol-2-yl)cyclohexyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-(1,3-benzothiazol-2-yl)cyclohexyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(1,3-benzothiazol-2-yl)cyclohexyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-(1,3-benzothiazol-2-yl)cyclohexyl]methanone Formula: C24H34N4O3S2 MolecularWeight: 490.68176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H34N4O3S2/c29-24(20-10-4-3-9-19(20)23-25-21-11-5-6-12-22(21)32-23)26-15-17-28(18-16-26)33(30,31)27-13-7-1-2-8-14-27/h5-6,11-12,19-20H,1-4,7-10,13-18H2