(2S)-2-[(4-bromanylnaphthalen-1-yl)sulfonylamino]hexanedioic acid

Systemtic Name: (2S)-2-[(4-bromanylnaphthalen-1-yl)sulfonylamino]hexanedioic acid Openeye Name: (2S)-2-[(4-bromo-1-naphthyl)sulfonylamino]hexanedioic acid CAS Name: (2S)-2-[(4-bromo-1-naphthalenyl)sulfonylamino]hexanedioic acid IUPAC Name: (2S)-2-[(4-bromonaphthalen-1-yl)sulfonylamino]hexanedioic acid Traditional Name: (2S)-2-[(4-bromo-1-naphthyl)sulfonylamino]adipic acid Formula: C16H16BrNO6S MolecularWeight: 430.27034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NC(CCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)N[C@@H](CCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H16BrNO6S/c17-12-8-9-14(11-5-2-1-4-10(11)12)25(23,24)18-13(16(21)22)6-3-7-15(19)20/h1-2,4-5,8-9,13,18H,3,6-7H2,(H,19,20)(H,21,22)/t13-/m0/s1