N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H23ClFN3O3S MolecularWeight: 451.942023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=C(C=C2)Cl)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C(C2=CC=C(C=C2)Cl)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23ClFN3O3S/c22-17-5-3-16(4-6-17)20(15-1-2-15)24-21(27)25-11-13-26(14-12-25)30(28,29)19-9-7-18(23)8-10-19/h3-10,15,20H,1-2,11-14H2,(H,24,27)