[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-tosylpiperazino)methanone Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N5O3S2/c1-16-6-8-17(9-7-16)33(30,31)28-14-12-27(13-15-28)23(29)21-20(24-10-11-25-21)22-26-18-4-2-3-5-19(18)32-22/h2-11H,12-15H2,1H3