(2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-phenyl-propionate Formula: C20H20ClN2O5S- MolecularWeight: 435.9012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-16-9-8-15(13-18(16)29(27,28)23-10-4-5-11-23)19(24)22-17(20(25)26)12-14-6-2-1-3-7-14/h1-3,6-9,13,17H,4-5,10-12H2,(H,22,24)(H,25,26)/p-1/t17-/m0/s1