methyl (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-(p-tolylsulfonylamino)acetate CAS Name: (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-(tosylamino)acetic acid methyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C(=O)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO4S/c1-13-3-5-17(6-4-13)26(23,24)21-18(19(22)25-2)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16,18,21H,7-12H2,1-2H3/t14?,15?,16?,18-,20?/m1/s1