4-[[(4S,5S)-5-azanyl-2,2,4-trimethyl-cyclopentyl]methylamino]benzenesulfonic acid

Systemtic Name: 4-[[(4S,5S)-5-azanyl-2,2,4-trimethyl-cyclopentyl]methylamino]benzenesulfonic acid Openeye Name: 4-[[(4S,5S)-5-amino-2,2,4-trimethyl-cyclopentyl]methylamino]benzenesulfonic acid CAS Name: 4-[[(4S,5S)-5-amino-2,2,4-trimethylcyclopentyl]methylamino]benzenesulfonic acid IUPAC Name: 4-[[(4S,5S)-5-amino-2,2,4-trimethylcyclopentyl]methylamino]benzenesulfonic acid Traditional Name: 4-[[(4S,5S)-5-amino-2,2,4-trimethyl-cyclopentyl]methylamino]besylic acid Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C1N)CNC2=CC=C(C=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

C[C@H]1CC(C([C@H]1N)CNC2=CC=C(C=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C15H24N2O3S/c1-10-8-15(2,3)13(14(10)16)9-17-11-4-6-12(7-5-11)21(18,19)20/h4-7,10,13-14,17H,8-9,16H2,1-3H3,(H,18,19,20)/t10-,13?,14-/m0/s1