4-(4-ethanoylphenyl)sulfonyl-N-heptan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-(4-ethanoylphenyl)sulfonyl-N-heptan-2-yl-piperazine-1-carboxamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-(1-methylhexyl)piperazine-1-carboxamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-heptan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-heptan-2-ylpiperazine-1-carboxamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-(1-methylhexyl)piperazine-1-carboxamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H31N3O4S/c1-4-5-6-7-16(2)21-20(25)22-12-14-23(15-13-22)28(26,27)19-10-8-18(9-11-19)17(3)24/h8-11,16H,4-7,12-15H2,1-3H3,(H,21,25)