[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzofuran-2-yl]methanone CAS Name: [3-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-2-benzofuranyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]methanone Traditional Name: (4-benzylpiperazino)-[3-methyl-5-(4-methylpiperidino)sulfonyl-benzofuran-2-yl]methanone Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N3O4S/c1-20-10-12-30(13-11-20)35(32,33)23-8-9-25-24(18-23)21(2)26(34-25)27(31)29-16-14-28(15-17-29)19-22-6-4-3-5-7-22/h3-9,18,20H,10-17,19H2,1-2H3