N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-fluoro-3-piperidinosulfonyl-benzamide Formula: C25H33FN4O3S MolecularWeight: 488.617923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H33FN4O3S/c1-3-28-13-15-29(16-14-28)21-8-10-23(19(2)17-21)27-25(31)20-7-9-22(26)24(18-20)34(32,33)30-11-5-4-6-12-30/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,27,31)