4-nitro-N-(3-phenylmethoxypropyl)-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 4-nitro-N-(3-phenylmethoxypropyl)-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(3-benzyloxypropyl)-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 4-nitro-N-(3-phenylmethoxypropyl)-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 4-nitro-N-(3-phenylmethoxypropyl)-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: 3-benzoxypropyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCOCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O5S/c24-23(25)18-9-10-19(20(15-18)29(26,27)22-12-4-5-13-22)21-11-6-14-28-16-17-7-2-1-3-8-17/h1-3,7-10,15,21H,4-6,11-14,16H2