3-[2-methylpropyl-[(2R)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]amino]propanenitrile

Systemtic Name: 3-[2-methylpropyl-[(2R)-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-2-oxidanyl-propyl]amino]propanenitrile Openeye Name: 3-[[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propyl]-isobutyl-amino]propanenitrile CAS Name: 3-[[(2R)-2-hydroxy-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]propyl]-(2-methylpropyl)amino]propanenitrile IUPAC Name: 3-[[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propyl]-(2-methylpropyl)amino]propanenitrile Traditional Name: 3-[[(2R)-2-hydroxy-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propyl]-isobutyl-amino]propionitrile Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC#N)CC(COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)CN(CCC#N)C[C@H](COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C20H30N4O6S/c1-16(2)13-22(9-5-8-21)14-17(25)15-30-20-7-6-18(12-19(20)24(26)27)31(28,29)23-10-3-4-11-23/h6-7,12,16-17,25H,3-5,9-11,13-15H2,1-2H3/t17-/m1/s1