(phenylmethyl) 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanoate Openeye Name: benzyl 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]acetate CAS Name: 2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3-nitro-4-pyrrolidino-phenyl)sulfonylamino]acetic acid benzyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-19(28-14-15-6-2-1-3-7-15)13-20-29(26,27)16-8-9-17(18(12-16)22(24)25)21-10-4-5-11-21/h1-3,6-9,12,20H,4-5,10-11,13-14H2