methyl (2S)-6-[bis(phenylmethyl)amino]-2-[(4-methylphenyl)sulfonylamino]hex-4-ynoate

Systemtic Name: methyl (2S)-6-[bis(phenylmethyl)amino]-2-[(4-methylphenyl)sulfonylamino]hex-4-ynoate Openeye Name: methyl (2S)-6-(dibenzylamino)-2-(p-tolylsulfonylamino)hex-4-ynoate CAS Name: (2S)-6-[bis(phenylmethyl)amino]-2-[(4-methylphenyl)sulfonylamino]-4-hexynoic acid methyl ester IUPAC Name: methyl (2S)-6-(dibenzylamino)-2-[(4-methylphenyl)sulfonylamino]hex-4-ynoate Traditional Name: (2S)-6-(dibenzylamino)-2-(tosylamino)hex-4-ynoic acid methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC#CCN(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C28H30N2O4S/c1-23-16-18-26(19-17-23)35(32,33)29-27(28(31)34-2)15-9-10-20-30(21-24-11-5-3-6-12-24)22-25-13-7-4-8-14-25/h3-8,11-14,16-19,27,29H,15,20-22H2,1-2H3/t27-/m0/s1