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

Systemtic Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=C(C=C2)OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC[C@@H](C2=CC=C(C=C2)OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-21-30(27,28)17-9-10-18(19(13-17)24(25)26)22-14-20(23-11-3-4-12-23)15-5-7-16(29-2)8-6-15/h5-10,13,20-22H,3-4,11-12,14H2,1-2H3/t20-/m0/s1