N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C23H31N4O6S+ MolecularWeight: 491.58044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])[NH+]4CCCC4

InChI

InChI=1S/C23H30N4O6S/c1-32-19-6-4-18(5-7-19)23(25-10-2-3-11-25)17-24-21-9-8-20(16-22(21)27(28)29)34(30,31)26-12-14-33-15-13-26/h4-9,16,23-24H,2-3,10-15,17H2,1H3/p+1/t23-/m0/s1