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

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(4-propylphenyl)sulfonylamino]acetic acid Formula: C21H29NO4S MolecularWeight: 391.52426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(=O)O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29NO4S/c1-2-3-14-4-6-18(7-5-14)27(25,26)22-19(20(23)24)21-11-15-8-16(12-21)10-17(9-15)13-21/h4-7,15-17,19,22H,2-3,8-13H2,1H3,(H,23,24)/t15?,16?,17?,19-,21?/m1/s1