[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone

Systemtic Name: [4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-[1-(phenylsulfonyl)piperidin-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)-3-piperidyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [1-(benzenesulfonyl)-3-piperidinyl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-3-yl]-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (1-besyl-3-piperidyl)-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4CCCN(C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4O4S2/c1-2-33-20-10-11-22-23(17-20)34-25(26-22)28-15-13-27(14-16-28)24(30)19-7-6-12-29(18-19)35(31,32)21-8-4-3-5-9-21/h3-5,8-11,17,19H,2,6-7,12-16,18H2,1H3