sodium; N,N-dimethyl-1-[3-(3-oxidanylpropyl)-1H-indol-5-yl]methanesulfonamide; (4-nitrophenyl)methanesulfonate

Systemtic Name: sodium; N,N-dimethyl-1-[3-(3-oxidanylpropyl)-1H-indol-5-yl]methanesulfonamide; (4-nitrophenyl)methanesulfonate Openeye Name: sodium; 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N,N-dimethyl-methanesulfonamide; (4-nitrophenyl)methanesulfonate CAS Name: sodium; 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N,N-dimethylmethanesulfonamide; (4-nitrophenyl)methanesulfonate IUPAC Name: sodium; 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N,N-dimethylmethanesulfonamide; (4-nitrophenyl)methanesulfonate Traditional Name: sodium; 1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N,N-dimethyl-methanesulfonamide; (4-nitrophenyl)methanesulfonate Formula: C21H26N3NaO8S2 MolecularWeight: 535.56621

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCCO.C1=CC(=CC=C1CS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

CN(C)S(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCCO.C1=CC(=CC=C1CS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C14H20N2O3S.C7H7NO5S.Na/c1-16(2)20(18,19)10-11-5-6-14-13(8-11)12(9-15-14)4-3-7-17;9-8(10)7-3-1-6(2-4-7)5-14(11,12)13;/h5-6,8-9,15,17H,3-4,7,10H2,1-2H3;1-4H,5H2,(H,11,12,13);/q;;+1/p-1