N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C22H30FN5O5S MolecularWeight: 495.567503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C22H30FN5O5S/c1-3-5-13-28-19(24)18(20(29)25-22(28)31)27(4-2)21(30)15-7-6-12-26(14-15)34(32,33)17-10-8-16(23)9-11-17/h8-11,15H,3-7,12-14,24H2,1-2H3,(H,25,29,31)