sodium 6-[(6-acetamido-2-azanyl-hexanoyl)amino]naphthalene-2-sulfonate

Systemtic Name: sodium 6-[(6-acetamido-2-azanyl-hexanoyl)amino]naphthalene-2-sulfonate Openeye Name: sodium 6-[(6-acetamido-2-amino-hexanoyl)amino]naphthalene-2-sulfonate CAS Name: sodium 6-[(6-acetamido-2-amino-1-oxohexyl)amino]-2-naphthalenesulfonate IUPAC Name: sodium 6-[(6-acetamido-2-aminohexanoyl)amino]naphthalene-2-sulfonate Traditional Name: sodium 6-[(6-acetamido-2-amino-hexanoyl)amino]naphthalene-2-sulfonate Formula: C18H22N3NaO5S MolecularWeight: 415.43915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C18H23N3O5S.Na/c1-12(22)20-9-3-2-4-17(19)18(23)21-15-7-5-14-11-16(27(24,25)26)8-6-13(14)10-15;/h5-8,10-11,17H,2-4,9,19H2,1H3,(H,20,22)(H,21,23)(H,24,25,26);/q;+1/p-1