[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [1-(4-methylphenyl)sulfonyl-4-piperidinyl]-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]-(1-tosyl-4-piperidyl)methanone Formula: C27H34N4O3S2 MolecularWeight: 526.71386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC5=C(C=CC=C5S4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC5=C(C=CC=C5S4)C(C)C

InChI

InChI=1S/C27H34N4O3S2/c1-19(2)23-5-4-6-24-25(23)28-27(35-24)30-17-15-29(16-18-30)26(32)21-11-13-31(14-12-21)36(33,34)22-9-7-20(3)8-10-22/h4-10,19,21H,11-18H2,1-3H3