methyl (2S)-2-[(4-methylsulfonylpiperazin-1-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-methylsulfonylpiperazin-1-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-mesylpiperazine-1-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O5S/c1-24-15(20)14(12-13-6-4-3-5-7-13)17-16(21)18-8-10-19(11-9-18)25(2,22)23/h3-7,14H,8-12H2,1-2H3,(H,17,21)/t14-/m0/s1