4-chloranyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-2-nitro-benzenesulfonamide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C19H22ClN3O5S/c1-28-16-7-4-14(5-8-16)18(22-10-2-3-11-22)13-21-29(26,27)19-9-6-15(20)12-17(19)23(24)25/h4-9,12,18,21H,2-3,10-11,13H2,1H3