tert-butyl 1-[3-azanyl-4-(phenylsulfonylamino)phenyl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-azanyl-4-(phenylsulfonylamino)phenyl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[3-amino-4-(benzenesulfonamido)phenyl]piperazine-2-carboxylate CAS Name: 1-[3-amino-4-(benzenesulfonamido)phenyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-amino-4-(benzenesulfonamido)phenyl]piperazine-2-carboxylate Traditional Name: 1-[3-amino-4-(benzenesulfonamido)phenyl]piperazine-2-carboxylic acid tert-butyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=CC(=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C21H28N4O4S/c1-21(2,3)29-20(26)19-14-23-11-12-25(19)15-9-10-18(17(22)13-15)24-30(27,28)16-7-5-4-6-8-16/h4-10,13,19,23-24H,11-12,14,22H2,1-3H3