3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propan-1-ol

Systemtic Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]propan-1-ol Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)propan-1-ol CAS Name: 3-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]-1-propanol IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)propan-1-ol Traditional Name: 3-(2-nitro-4-pyrrolidinosulfonyl-anilino)propan-1-ol Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCO)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S/c17-9-3-6-14-12-5-4-11(10-13(12)16(18)19)22(20,21)15-7-1-2-8-15/h4-5,10,14,17H,1-3,6-9H2