2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H30N4O4S/c27-18-23-3-1-2-4-25(23)35(32,33)30-10-7-21(8-11-30)26(31)29-14-12-28(13-15-29)19-20-5-6-24-22(17-20)9-16-34-24/h1-6,17,21H,7-16,19H2