tert-butyl 4-[(6-chloranyl-1H-benzimidazol-2-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-1H-benzimidazol-2-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21ClN4O4S MolecularWeight: 400.88034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN4O4S/c1-16(2,3)25-15(22)20-6-8-21(9-7-20)26(23,24)14-18-12-5-4-11(17)10-13(12)19-14/h4-5,10H,6-9H2,1-3H3,(H,18,19)