N-[2-[(4-azanyl-3-methyl-phenyl)amino]ethyl]methanesulfonamide; sulfuric acid

Systemtic Name: N-[2-[(4-azanyl-3-methyl-phenyl)amino]ethyl]methanesulfonamide; sulfuric acid Openeye Name: N-[2-(4-amino-3-methyl-anilino)ethyl]methanesulfonamide; sulfuric acid CAS Name: N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid IUPAC Name: N-[2-(4-amino-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid Traditional Name: N-[2-(4-amino-3-methyl-anilino)ethyl]methanesulfonamide; sulfuric acid Formula: C50H95N15O30S10 MolecularWeight: 1707.0218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.CC1=C(C=CC(=C1)NCCNS(=O)(=O)C)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/5C10H17N3O2S.5H2O4S/c5*1-8-7-9(3-4-10(8)11)12-5-6-13-16(2,14)15;5*1-5(2,3)4/h5*3-4,7,12-13H,5-6,11H2,1-2H3;5*(H2,1,2,3,4)