sodium [(2S)-2-[(5-chloranylthiophen-2-yl)sulfonylamino]-3-ethyl-pentyl] sulfate

Systemtic Name: sodium [(2S)-2-[(5-chloranylthiophen-2-yl)sulfonylamino]-3-ethyl-pentyl] sulfate Openeye Name: sodium [(2S)-2-[(5-chloro-2-thienyl)sulfonylamino]-3-ethyl-pentyl] sulfate CAS Name: sodium [(2S)-2-[(5-chloro-2-thiophenyl)sulfonylamino]-3-ethylpentyl] sulfate IUPAC Name: sodium [(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-ethylpentyl] sulfate Traditional Name: sodium [(2S)-2-[(5-chloro-2-thienyl)sulfonylamino]-3-ethyl-pentyl] sulfate Formula: C11H17ClNNaO6S3 MolecularWeight: 413.89355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(COS(=O)(=O)[O-])NS(=O)(=O)C1=CC=C(S1)Cl.[Na+]

Isomeric SMILES

CCC(CC)[C@@H](COS(=O)(=O)[O-])NS(=O)(=O)C1=CC=C(S1)Cl.[Na+]

InChI

InChI=1S/C11H18ClNO6S3.Na/c1-3-8(4-2)9(7-19-22(16,17)18)13-21(14,15)11-6-5-10(12)20-11;/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,16,17,18);/q;+1/p-1/t9-;/m1./s1