tert-butyl 4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-methyl-2-(p-tolylsulfonylamino)pentanoyl]piperazine-1-carboxylate CAS Name: 4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxopentyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-methyl-2-(tosylamino)pentanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N3O5S/c1-16(2)15-19(23-31(28,29)18-9-7-17(3)8-10-18)20(26)24-11-13-25(14-12-24)21(27)30-22(4,5)6/h7-10,16,19,23H,11-15H2,1-6H3