tert-butyl 2-azanyl-3-propan-2-ylsulfonyl-benzimidazole-5-carboxylate

Systemtic Name: tert-butyl 2-azanyl-3-propan-2-ylsulfonyl-benzimidazole-5-carboxylate Openeye Name: tert-butyl 2-amino-3-isopropylsulfonyl-benzimidazole-5-carboxylate CAS Name: 2-amino-3-propan-2-ylsulfonyl-5-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-propan-2-ylsulfonylbenzimidazole-5-carboxylate Traditional Name: 2-amino-3-isopropylsulfonyl-benzimidazole-5-carboxylic acid tert-butyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=O)OC(C)(C)C)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=O)OC(C)(C)C)N=C1N

InChI

InChI=1S/C15H21N3O4S/c1-9(2)23(20,21)18-12-8-10(13(19)22-15(3,4)5)6-7-11(12)17-14(18)16/h6-9H,1-5H3,(H2,16,17)