3-(2-methylidenebutanoylamino)propane-1-sulfonic acid; N-phenylaniline

Systemtic Name: 3-(2-methylidenebutanoylamino)propane-1-sulfonic acid; N-phenylaniline Openeye Name: 3-(2-methylenebutanoylamino)propane-1-sulfonic acid; N-phenylaniline CAS Name: 3-[(2-methylene-1-oxobutyl)amino]-1-propanesulfonic acid; N-phenylaniline IUPAC Name: 3-(2-methylidenebutanoylamino)propane-1-sulfonic acid; N-phenylaniline Traditional Name: diphenylamine; 3-[(2-ethylacryloyl)amino]propane-1-sulfonic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)NCCCS(=O)(=O)O.C1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CCC(=C)C(=O)NCCCS(=O)(=O)O.C1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C12H11N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7(2)8(10)9-5-4-6-14(11,12)13/h1-10,13H;2-6H2,1H3,(H,9,10)(H,11,12,13)