tert-butyl N-[(2S)-1-[[4-(methylsulfonylcarbamoyl)phenyl]sulfonylamino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[4-(methylsulfonylcarbamoyl)phenyl]sulfonylamino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[4-(methylsulfonylcarbamoyl)phenyl]sulfonylcarbamoyl]butyl]carbamate CAS Name: N-[(2S)-1-[[4-[methanesulfonamido(oxo)methyl]phenyl]sulfonylamino]-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[4-(methylsulfonylcarbamoyl)phenyl]sulfonylamino]-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[4-(mesylcarbamoyl)phenyl]sulfonylcarbamoyl]butyl]carbamic acid tert-butyl ester Formula: C18H27N3O8S2 MolecularWeight: 477.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NS(=O)(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@@H](C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NS(=O)(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N3O8S2/c1-6-7-14(19-17(24)29-18(2,3)4)16(23)21-31(27,28)13-10-8-12(9-11-13)15(22)20-30(5,25)26/h8-11,14H,6-7H2,1-5H3,(H,19,24)(H,20,22)(H,21,23)/t14-/m0/s1