4-nitro-N-(4-phenoxybutyl)-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 4-nitro-N-(4-phenoxybutyl)-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 4-nitro-N-(4-phenoxybutyl)-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 4-nitro-N-(4-phenoxybutyl)-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 4-nitro-N-(4-phenoxybutyl)-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: (4-nitro-2-pyrrolidinosulfonyl-phenyl)-(4-phenoxybutyl)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-])NCCCCOC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCCOC3=CC=CC=C3

InChI

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