(NE)-N-[azanyl(phenyl)methylidene]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: (NE)-N-[azanyl(phenyl)methylidene]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: (NE)-N-[amino(phenyl)methylene]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: (NE)-N-[amino(phenyl)methylidene]-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: (NE)-N-[amino(phenyl)methylidene]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: (NE)-N-[amino(phenyl)methylene]-4-mesitylsulfonyl-piperazine-1-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)N=C(C3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)/N=C(\C3=CC=CC=C3)/N)C

InChI

InChI=1S/C21H26N4O3S/c1-15-13-16(2)19(17(3)14-15)29(27,28)25-11-9-24(10-12-25)21(26)23-20(22)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3,(H2,22,23,26)