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

Systemtic Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyanophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyanophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[1-(4-chlorophenyl)-2-methylpropyl]-4-(4-cyanophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[1-(4-chlorophenyl)-2-methylpropyl]-4-(4-cyanophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[1-(4-chlorophenyl)-2-methyl-propyl]-4-(4-cyanophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25ClN4O3S/c1-16(2)21(18-5-7-19(23)8-6-18)25-22(28)26-11-13-27(14-12-26)31(29,30)20-9-3-17(15-24)4-10-20/h3-10,16,21H,11-14H2,1-2H3,(H,25,28)