bis(2-hydroxyethyl)-[(2S)-3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2S)-3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(N-nosylanilino)propyl]ammonium Formula: C19H26N3O7S+ MolecularWeight: 440.49064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(C[NH+](CCO)CCO)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(C[C@H](C[NH+](CCO)CCO)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O7S/c23-12-10-20(11-13-24)14-18(25)15-21(16-4-2-1-3-5-16)30(28,29)19-8-6-17(7-9-19)22(26)27/h1-9,18,23-25H,10-15H2/p+1/t18-/m0/s1