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

Systemtic Name: [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] hydrogen sulfate Openeye Name: [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] hydrogen sulfate CAS Name: sulfuric acid [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentyl] ester IUPAC Name: [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentyl] hydrogen sulfate Traditional Name: sulfuric acid [(2S,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-pentyl] ester Formula: C12H18ClNO6S2 MolecularWeight: 371.85742

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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

Isomeric SMILES

CC[C@H](C)[C@@H](COS(=O)(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H18ClNO6S2/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)/t9-,12+/m0/s1