N-(2-phenylazanylethyl)methanesulfonamide; sulfuric acid

Systemtic Name: N-(2-phenylazanylethyl)methanesulfonamide; sulfuric acid Openeye Name: N-(2-anilinoethyl)methanesulfonamide; sulfuric acid CAS Name: N-(2-anilinoethyl)methanesulfonamide; sulfuric acid IUPAC Name: N-(2-anilinoethyl)methanesulfonamide; sulfuric acid Traditional Name: N-(2-anilinoethyl)methanesulfonamide; sulfuric acid Formula: C45H80N10O30S10 MolecularWeight: 1561.8157

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.CS(=O)(=O)NCCNC1=CC=CC=C1.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/5C9H14N2O2S.5H2O4S/c5*1-14(12,13)11-8-7-10-9-5-3-2-4-6-9;5*1-5(2,3)4/h5*2-6,10-11H,7-8H2,1H3;5*(H2,1,2,3,4)