tert-butyl 4-[3-azanyl-4-(phenylsulfonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-azanyl-4-(phenylsulfonyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-amino-4-(benzenesulfonyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-amino-4-(benzenesulfonyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-amino-4-(benzenesulfonyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-(3-amino-4-besyl-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)28-20(25)24-13-11-23(12-14-24)16-9-10-19(18(22)15-16)29(26,27)17-7-5-4-6-8-17/h4-10,15H,11-14,22H2,1-3H3