(NE)-4-[(5-azanyl-2-methyl-phenyl)methylsulfonyl]-N-[azanyl(phenyl)methylidene]piperazine-1-carboxamide

Systemtic Name: (NE)-4-[(5-azanyl-2-methyl-phenyl)methylsulfonyl]-N-[azanyl(phenyl)methylidene]piperazine-1-carboxamide Openeye Name: (NE)-4-[(5-amino-2-methyl-phenyl)methylsulfonyl]-N-[amino(phenyl)methylene]piperazine-1-carboxamide CAS Name: (NE)-4-[(5-amino-2-methylphenyl)methylsulfonyl]-N-[amino(phenyl)methylidene]-1-piperazinecarboxamide IUPAC Name: (NE)-4-[(5-amino-2-methylphenyl)methylsulfonyl]-N-[amino(phenyl)methylidene]piperazine-1-carboxamide Traditional Name: (NE)-4-(5-amino-2-methyl-benzyl)sulfonyl-N-[amino(phenyl)methylene]piperazine-1-carboxamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c1-15-7-8-18(21)13-17(15)14-29(27,28)25-11-9-24(10-12-25)20(26)23-19(22)16-5-3-2-4-6-16/h2-8,13H,9-12,14,21H2,1H3,(H2,22,23,26)