sodium [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] sulfate

Systemtic Name: sodium [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] sulfate Openeye Name: sodium [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] sulfate CAS Name: sodium [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentyl] sulfate IUPAC Name: sodium [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentyl] sulfate Traditional Name: sodium [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] sulfate Formula: C12H17ClNNaO6S2 MolecularWeight: 393.83925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClNO6S2.Na/c1-3-9(2)12(8-20-22(17,18)19)14-21(15,16)11-6-4-10(13)5-7-11;/h4-7,9,12,14H,3,8H2,1-2H3,(H,17,18,19);/q;+1/p-1/t9-,12+;/m0./s1