(2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]ethanoic acid

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(4-butylphenyl)sulfonylamino]acetic acid Formula: C22H31NO4S MolecularWeight: 405.55084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31NO4S/c1-2-3-4-15-5-7-19(8-6-15)28(26,27)23-20(21(24)25)22-12-16-9-17(13-22)11-18(10-16)14-22/h5-8,16-18,20,23H,2-4,9-14H2,1H3,(H,24,25)/t16?,17?,18?,20-,22?/m1/s1