(2S)-2-[(4-methylphenyl)sulfonyl-(4-methylpiperidin-2-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonyl-(4-methylpiperidin-2-yl)amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(4-methyl-2-piperidyl)-(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonyl-(4-methyl-2-piperidinyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonyl-(4-methylpiperidin-2-yl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(4-methyl-2-piperidyl)-tosyl-amino]-3-phenyl-propionic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCNC(C1)N(C(CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCNC(C1)N([C@@H](CC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N2O4S/c1-16-8-10-19(11-9-16)29(27,28)24(21-14-17(2)12-13-23-21)20(22(25)26)15-18-6-4-3-5-7-18/h3-11,17,20-21,23H,12-15H2,1-2H3,(H,25,26)/t17?,20-,21?/m0/s1