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

Systemtic Name: methyl (3S)-3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23ClN2O5S/c1-29-20(25)14-18(15-7-3-2-4-8-15)23-21(26)16-9-10-17(22)19(13-16)30(27,28)24-11-5-6-12-24/h2-4,7-10,13,18H,5-6,11-12,14H2,1H3,(H,23,26)/t18-/m0/s1