N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(2-cyanophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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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=CC=C4C#N

Isomeric SMILES

C1CC1C(C2=CC=C(C=C2)Cl)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23ClN4O3S/c23-19-9-7-17(8-10-19)21(16-5-6-16)25-22(28)26-11-13-27(14-12-26)31(29,30)20-4-2-1-3-18(20)15-24/h1-4,7-10,16,21H,5-6,11-14H2,(H,25,28)