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

Systemtic Name: 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[(2R)-2-p-phenetylpyrrolidino]benzenesulfonamide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-3-27-15-8-6-14(7-9-15)17-5-4-12-21(17)18-11-10-16(28(25,26)20-2)13-19(18)22(23)24/h6-11,13,17,20H,3-5,12H2,1-2H3/t17-/m1/s1