tert-butyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-morpholinosulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[2-(4-morpholinylsulfonyl)phenyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(2-morpholinosulfonylbenzyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H32N4O6S/c1-21(2,3)31-20(27)24-10-8-23(9-11-24)19(26)22-16-17-6-4-5-7-18(17)32(28,29)25-12-14-30-15-13-25/h4-7H,8-16H2,1-3H3,(H,22,26)