5-[2-(2-iodanylethanoylamino)ethylamino]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid

Systemtic Name: 5-[2-(2-iodanylethanoylamino)ethylamino]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Openeye Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid CAS Name: 5-[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid IUPAC Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Traditional Name: 5-[2-[(2-iodoacetyl)amino]ethylamino]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Formula: C14H19IN2O4S MolecularWeight: 438.28113

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2C1C(=CC=C2)NCCNC(=O)CI)S(=O)(=O)O

Isomeric SMILES

C1C=CC(C2C1C(=CC=C2)NCCNC(=O)CI)S(=O)(=O)O

InChI

InChI=1S/C14H19IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-2,4-6,10-11,13,16H,3,7-9H2,(H,17,18)(H,19,20,21)