N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O4S/c1-15-2-7-19(25-22(28)16-3-4-16)14-21(15)26-23(29)17-10-12-27(13-11-17)32(30,31)20-8-5-18(24)6-9-20/h2,5-9,14,16-17H,3-4,10-13H2,1H3,(H,25,28)(H,26,29)