(phenylmethyl) N-(2-methylbutyl)-N-[(1S)-4-nitro-3-oxidanylidene-2-phenethyl-1-sulfamoyl-butyl]carbamate

Systemtic Name: (phenylmethyl) N-(2-methylbutyl)-N-[(1S)-4-nitro-3-oxidanylidene-2-phenethyl-1-sulfamoyl-butyl]carbamate Openeye Name: benzyl N-(2-methylbutyl)-N-[(1S)-4-nitro-3-oxo-2-phenethyl-1-sulfamoyl-butyl]carbamate CAS Name: N-(2-methylbutyl)-N-[(1S)-4-nitro-3-oxo-2-phenethyl-1-sulfamoylbutyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-methylbutyl)-N-[(1S)-4-nitro-3-oxo-2-phenethyl-1-sulfamoylbutyl]carbamate Traditional Name: N-[(1S)-3-keto-4-nitro-2-phenethyl-1-sulfamoyl-butyl]-N-(2-methylbutyl)carbamic acid benzyl ester Formula: C25H33N3O7S MolecularWeight: 519.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C(C(CCC1=CC=CC=C1)C(=O)C[N+](=O)[O-])S(=O)(=O)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)CN([C@H](C(CCC1=CC=CC=C1)C(=O)C[N+](=O)[O-])S(=O)(=O)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O7S/c1-3-19(2)16-27(25(30)35-18-21-12-8-5-9-13-21)24(36(26,33)34)22(23(29)17-28(31)32)15-14-20-10-6-4-7-11-20/h4-13,19,22,24H,3,14-18H2,1-2H3,(H2,26,33,34)/t19?,22?,24-/m0/s1