sodium [(2S,3R)-2-[(5-chloranylthiophen-2-yl)sulfonylamino]-3-methyl-pentyl] sulfate

Systemtic Name: sodium [(2S,3R)-2-[(5-chloranylthiophen-2-yl)sulfonylamino]-3-methyl-pentyl] sulfate Openeye Name: sodium [(2S,3R)-2-[(5-chloro-2-thienyl)sulfonylamino]-3-methyl-pentyl] sulfate CAS Name: sodium [(2S,3R)-2-[(5-chloro-2-thiophenyl)sulfonylamino]-3-methylpentyl] sulfate IUPAC Name: sodium [(2S,3R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentyl] sulfate Traditional Name: sodium [(2S,3R)-2-[(5-chloro-2-thienyl)sulfonylamino]-3-methyl-pentyl] sulfate Formula: C10H15ClNNaO6S3 MolecularWeight: 399.86697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16ClNO6S3.Na/c1-3-7(2)8(6-18-21(15,16)17)12-20(13,14)10-5-4-9(11)19-10;/h4-5,7-8,12H,3,6H2,1-2H3,(H,15,16,17);/q;+1/p-1/t7-,8-;/m1./s1