(NE)-4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-N-[azanyl(phenyl)methylidene]piperazine-1-carboxamide

Systemtic Name: (NE)-4-(4-acetamido-3-chloranyl-phenyl)sulfonyl-N-[azanyl(phenyl)methylidene]piperazine-1-carboxamide Openeye Name: (NE)-4-(4-acetamido-3-chloro-phenyl)sulfonyl-N-[amino(phenyl)methylene]piperazine-1-carboxamide CAS Name: (NE)-4-(4-acetamido-3-chlorophenyl)sulfonyl-N-[amino(phenyl)methylidene]-1-piperazinecarboxamide IUPAC Name: (NE)-4-(4-acetamido-3-chlorophenyl)sulfonyl-N-[amino(phenyl)methylidene]piperazine-1-carboxamide Traditional Name: (NE)-4-(4-acetamido-3-chloro-phenyl)sulfonyl-N-[amino(phenyl)methylene]piperazine-1-carboxamide Formula: C20H22ClN5O4S MolecularWeight: 463.93778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)N=C(C3=CC=CC=C3)N)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/N=C(\C3=CC=CC=C3)/N)Cl

InChI

InChI=1S/C20H22ClN5O4S/c1-14(27)23-18-8-7-16(13-17(18)21)31(29,30)26-11-9-25(10-12-26)20(28)24-19(22)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,23,27)(H2,22,24,28)