(2S)-2-(1-adamantyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]ethanoate

Systemtic Name: (2S)-2-(1-adamantyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]ethanoate Openeye Name: (2S)-2-(1-adamantyl)-2-[(4-isopropylphenyl)sulfonylamino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetate IUPAC Name: (2S)-2-(1-adamantyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-(p-cumenylsulfonylamino)acetate Formula: C21H28NO4S- MolecularWeight: 390.51632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(C(=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4S/c1-13(2)17-3-5-18(6-4-17)27(25,26)22-19(20(23)24)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16,19,22H,7-12H2,1-2H3,(H,23,24)/p-1/t14?,15?,16?,19-,21?/m1/s1