1-(3-fluorophenyl)carbonyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-fluorophenyl)carbonyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]piperidine-4-carboxamide Openeye Name: 1-(3-fluorobenzoyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]piperidine-4-carboxamide CAS Name: 1-[(3-fluorophenyl)-oxomethyl]-N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-fluorobenzoyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]piperidine-4-carboxamide Traditional Name: 1-(3-fluorobenzoyl)-N-[4-[4-(2-methoxyphenyl)piperazino]sulfonylphenyl]isonipecotamide Formula: C30H33FN4O5S MolecularWeight: 580.670223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C30H33FN4O5S/c1-40-28-8-3-2-7-27(28)33-17-19-35(20-18-33)41(38,39)26-11-9-25(10-12-26)32-29(36)22-13-15-34(16-14-22)30(37)23-5-4-6-24(31)21-23/h2-12,21-22H,13-20H2,1H3,(H,32,36)