N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(2R)-3-ethyl-2-(1-pyrrolidin-1-iumyl)pentyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-ylpentyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H35N4O5S+ MolecularWeight: 455.5914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

CCC(CC)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C21H34N4O5S/c1-3-17(4-2)21(23-9-5-6-10-23)16-22-19-8-7-18(15-20(19)25(26)27)31(28,29)24-11-13-30-14-12-24/h7-8,15,17,21-22H,3-6,9-14,16H2,1-2H3/p+1/t21-/m0/s1