2-azanyl-3,4-bis(bromanyl)-5-[(propanoylamino)methyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-3,4-bis(bromanyl)-5-[(propanoylamino)methyl]naphthalene-1-sulfonic acid Openeye Name: 2-amino-3,4-dibromo-5-[(propanoylamino)methyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-3,4-dibromo-5-[(1-oxopropylamino)methyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-3,4-dibromo-5-[(propanoylamino)methyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-3,4-dibromo-5-(propionamidomethyl)naphthalene-1-sulfonic acid Formula: C14H14Br2N2O4S MolecularWeight: 466.14496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=CC=CC2=C1C(=C(C(=C2S(=O)(=O)O)N)Br)Br

Isomeric SMILES

CCC(=O)NCC1=CC=CC2=C1C(=C(C(=C2S(=O)(=O)O)N)Br)Br

InChI

InChI=1S/C14H14Br2N2O4S/c1-2-9(19)18-6-7-4-3-5-8-10(7)11(15)12(16)13(17)14(8)23(20,21)22/h3-5H,2,6,17H2,1H3,(H,18,19)(H,20,21,22)