[3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium

Systemtic Name: [3-[(4-nitrophenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-dipropyl-azanium Openeye Name: [2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]-dipropyl-ammonium CAS Name: [2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]-dipropylammonium IUPAC Name: [2-hydroxy-3-(N-(4-nitrophenyl)sulfonylanilino)propyl]-dipropylazanium Traditional Name: [2-hydroxy-3-(N-nosylanilino)propyl]-dipropyl-ammonium Formula: C21H30N3O5S+ MolecularWeight: 436.545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-3-14-22(15-4-2)16-20(25)17-23(18-8-6-5-7-9-18)30(28,29)21-12-10-19(11-13-21)24(26)27/h5-13,20,25H,3-4,14-17H2,1-2H3/p+1