3-[[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid Openeye Name: 3-[[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid CAS Name: 3-[[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[1-(2,4-dichlorobenzyl)cyclohexyl]amino]propane-1-sulfonic acid Formula: C16H23Cl2NO3S MolecularWeight: 380.32972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)NCCCS(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)NCCCS(=O)(=O)O

InChI

InChI=1S/C16H23Cl2NO3S/c17-14-6-5-13(15(18)11-14)12-16(7-2-1-3-8-16)19-9-4-10-23(20,21)22/h5-6,11,19H,1-4,7-10,12H2,(H,20,21,22)