(NE)-N-[azanyl(phenyl)methylidene]-4-(4-butylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: (NE)-N-[azanyl(phenyl)methylidene]-4-(4-butylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: (NE)-N-[amino(phenyl)methylene]-4-(4-butylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: (NE)-N-[amino(phenyl)methylidene]-4-(4-butylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: (NE)-N-[amino(phenyl)methylidene]-4-(4-butylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: (NE)-N-[amino(phenyl)methylene]-4-(4-butylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N=C(C3=CC=CC=C3)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/N=C(\C3=CC=CC=C3)/N

InChI

InChI=1S/C22H28N4O3S/c1-2-3-7-18-10-12-20(13-11-18)30(28,29)26-16-14-25(15-17-26)22(27)24-21(23)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3,(H2,23,24,27)