cyclohexylmethyl 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]ethanoate

Systemtic Name: cyclohexylmethyl 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]ethanoate Openeye Name: cyclohexylmethyl 2-[[4-(isopropylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[[3-nitro-4-(propan-2-ylamino)phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(isopropylamino)-3-nitro-phenyl]sulfonylamino]acetic acid cyclohexylmethyl ester Formula: C18H27N3O6S MolecularWeight: 413.48848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-13(2)20-16-9-8-15(10-17(16)21(23)24)28(25,26)19-11-18(22)27-12-14-6-4-3-5-7-14/h8-10,13-14,19-20H,3-7,11-12H2,1-2H3