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

Systemtic Name: (NE)-N-[azanyl(phenyl)methylidene]-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: (NE)-N-[amino(phenyl)methylene]-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: (NE)-N-[amino(phenyl)methylidene]-4-(4-propylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: (NE)-N-[amino(phenyl)methylidene]-4-(4-propylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: (NE)-N-[amino(phenyl)methylene]-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N=C(C3=CC=CC=C3)N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/N=C(\C3=CC=CC=C3)/N

InChI

InChI=1S/C21H26N4O3S/c1-2-6-17-9-11-19(12-10-17)29(27,28)25-15-13-24(14-16-25)21(26)23-20(22)18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-16H2,1H3,(H2,22,23,26)