N-(benzimidazol-1-yl)-4-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(benzimidazol-1-yl)-4-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(benzimidazol-1-yl)-4-(4-bromo-2-chloro-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1-benzimidazolyl)-4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(benzimidazol-1-yl)-4-(4-bromo-2-chlorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(benzimidazol-1-yl)-4-(4-bromo-2-chloro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C18H17BrClN5O3S MolecularWeight: 498.78128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NN2C=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=O)NN2C=NC3=CC=CC=C32)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C18H17BrClN5O3S/c19-13-5-6-17(14(20)11-13)29(27,28)24-9-7-23(8-10-24)18(26)22-25-12-21-15-3-1-2-4-16(15)25/h1-6,11-12H,7-10H2,(H,22,26)