[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-3-piperidyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-3-piperidinyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-3-yl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (1-besyl-3-piperidyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O3S2/c1-2-19-8-6-12-22-23(19)26-25(33-22)28-16-14-27(15-17-28)24(30)20-9-7-13-29(18-20)34(31,32)21-10-4-3-5-11-21/h3-6,8,10-12,20H,2,7,9,13-18H2,1H3