(phenylmethyl) N-[(4S,5S)-4-[(2-nitrophenyl)sulfonylamino]-5-oxidanyl-hept-6-enyl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S,5S)-4-[(2-nitrophenyl)sulfonylamino]-5-oxidanyl-hept-6-enyl]carbamate Openeye Name: benzyl N-[(4S,5S)-5-hydroxy-4-[(2-nitrophenyl)sulfonylamino]hept-6-enyl]carbamate CAS Name: N-[(4S,5S)-5-hydroxy-4-[(2-nitrophenyl)sulfonylamino]hept-6-enyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S,5S)-5-hydroxy-4-[(2-nitrophenyl)sulfonylamino]hept-6-enyl]carbamate Traditional Name: N-[(4S,5S)-5-hydroxy-4-[(2-nitrophenyl)sulfonylamino]hept-6-enyl]carbamic acid benzyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(CCCNC(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

C=C[C@@H]([C@H](CCCNC(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O7S/c1-2-19(25)17(23-32(29,30)20-13-7-6-12-18(20)24(27)28)11-8-14-22-21(26)31-15-16-9-4-3-5-10-16/h2-7,9-10,12-13,17,19,23,25H,1,8,11,14-15H2,(H,22,26)/t17-,19-/m0/s1