5-(aminocarbonylamino)-7-ethylsulfonyl-4-oxidanyl-6-propyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-(aminocarbonylamino)-7-ethylsulfonyl-4-oxidanyl-6-propyl-naphthalene-2-sulfonic acid Openeye Name: 7-ethylsulfonyl-4-hydroxy-6-propyl-5-ureido-naphthalene-2-sulfonic acid CAS Name: 5-(carbamoylamino)-7-ethylsulfonyl-4-hydroxy-6-propyl-2-naphthalenesulfonic acid IUPAC Name: 5-(carbamoylamino)-7-ethylsulfonyl-4-hydroxy-6-propylnaphthalene-2-sulfonic acid Traditional Name: 7-esyl-4-hydroxy-6-propyl-5-ureido-naphthalene-2-sulfonic acid Formula: C16H20N2O7S2 MolecularWeight: 416.4692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2C=C1S(=O)(=O)CC)S(=O)(=O)O)O)NC(=O)N

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2C=C1S(=O)(=O)CC)S(=O)(=O)O)O)NC(=O)N

InChI

InChI=1S/C16H20N2O7S2/c1-3-5-11-13(26(21,22)4-2)7-9-6-10(27(23,24)25)8-12(19)14(9)15(11)18-16(17)20/h6-8,19H,3-5H2,1-2H3,(H3,17,18,20)(H,23,24,25)