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

Systemtic Name: tert-butyl 4-[3-(ethylamino)-4-(phenylsulfonyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzenesulfonyl)-3-(ethylamino)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(benzenesulfonyl)-3-(ethylamino)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(benzenesulfonyl)-3-(ethylamino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-besyl-3-(ethylamino)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-5-24-20-17-18(11-12-21(20)31(28,29)19-9-7-6-8-10-19)25-13-15-26(16-14-25)22(27)30-23(2,3)4/h6-12,17,24H,5,13-16H2,1-4H3