tert-butyl 4-(3-azanyl-4-methylsulfonyl-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanyl-4-methylsulfonyl-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-4-methylsulfonyl-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-amino-4-methylsulfonylphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-4-methylsulfonylphenyl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-4-mesyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H25N3O4S MolecularWeight: 355.4524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)S(=O)(=O)C)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)S(=O)(=O)C)N

InChI

InChI=1S/C16H25N3O4S/c1-16(2,3)23-15(20)19-9-7-18(8-10-19)12-5-6-14(13(17)11-12)24(4,21)22/h5-6,11H,7-10,17H2,1-4H3