ethane; N-ethylethanamine; 3-methyl-4-(4-methylphenyl)sulfonyl-6-nitro-benzene-1,2-diamine

Systemtic Name: ethane; N-ethylethanamine; 3-methyl-4-(4-methylphenyl)sulfonyl-6-nitro-benzene-1,2-diamine Openeye Name: ethane; N-ethylethanamine; 3-methyl-6-nitro-4-(p-tolylsulfonyl)benzene-1,2-diamine CAS Name: ethane; N-ethylethanamine; 3-methyl-4-(4-methylphenyl)sulfonyl-6-nitrobenzene-1,2-diamine IUPAC Name: ethane; N-ethylethanamine; 3-methyl-4-(4-methylphenyl)sulfonyl-6-nitrobenzene-1,2-diamine Traditional Name: (2-amino-3-methyl-6-nitro-4-tosyl-phenyl)amine; diethylamine; ethane Formula: C20H32N4O4S MolecularWeight: 424.55748

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCNCC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)[N+](=O)[O-])N)N)C

Isomeric SMILES

CC.CCNCC.CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2)[N+](=O)[O-])N)N)C

InChI

InChI=1S/C14H15N3O4S.C4H11N.C2H6/c1-8-3-5-10(6-4-8)22(20,21)12-7-11(17(18)19)14(16)13(15)9(12)2;1-3-5-4-2;1-2/h3-7H,15-16H2,1-2H3;5H,3-4H2,1-2H3;1-2H3