(2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]-3-phenyl-propionate Formula: C21H22ClN2O5S- MolecularWeight: 449.92778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c22-17-6-8-18(9-7-17)30(28,29)24-12-10-16(11-13-24)20(25)23-19(21(26)27)14-15-4-2-1-3-5-15/h1-9,16,19H,10-14H2,(H,23,25)(H,26,27)/p-1/t19-/m0/s1