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

Systemtic Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-4-tosyl-piperazine-1-carboxamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-16-2-10-20(11-3-16)30(28,29)26-14-12-25(13-15-26)22(27)24-21(17-4-5-17)18-6-8-19(23)9-7-18/h2-3,6-11,17,21H,4-5,12-15H2,1H3,(H,24,27)