2-[(4-aminophenyl)carbonylamino]-5-pentyl-benzenesulfonic acid

Systemtic Name: 2-[(4-aminophenyl)carbonylamino]-5-pentyl-benzenesulfonic acid Openeye Name: 2-[(4-aminobenzoyl)amino]-5-pentyl-benzenesulfonic acid CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]-5-pentylbenzenesulfonic acid IUPAC Name: 2-[(4-aminobenzoyl)amino]-5-pentylbenzenesulfonic acid Traditional Name: 2-[(4-aminobenzoyl)amino]-5-amyl-besylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N)S(=O)(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-2-3-4-5-13-6-11-16(17(12-13)25(22,23)24)20-18(21)14-7-9-15(19)10-8-14/h6-12H,2-5,19H2,1H3,(H,20,21)(H,22,23,24)