[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-methyl-benzofuran-2-yl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [5-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-methyl-2-benzofuranyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(3,5-dimethylpiperidino)sulfonyl-3-methyl-benzofuran-2-yl]-[4-(2-pyridyl)piperazino]methanone Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C26H32N4O4S/c1-18-14-19(2)17-30(16-18)35(32,33)21-7-8-23-22(15-21)20(3)25(34-23)26(31)29-12-10-28(11-13-29)24-6-4-5-9-27-24/h4-9,15,18-19H,10-14,16-17H2,1-3H3