4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-4-[(2R)-2-p-phenetylpyrrolidino]benzenesulfonamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-2-26-14-7-5-13(6-8-14)16-4-3-11-20(16)17-10-9-15(27(19,24)25)12-18(17)21(22)23/h5-10,12,16H,2-4,11H2,1H3,(H2,19,24,25)/t16-/m1/s1