N-[cyclopropyl(phenyl)methyl]-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-[cyclopropyl(phenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-17(27)18-9-11-21(12-10-18)31(29,30)26-15-13-25(14-16-26)23(28)24-22(20-7-8-20)19-5-3-2-4-6-19/h2-6,9-12,20,22H,7-8,13-16H2,1H3,(H,24,28)