methyl 2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O5S/c1-30-22(27)19(14-16-8-4-2-5-9-16)24-21(26)17-10-11-18(23)20(15-17)31(28,29)25-12-6-3-7-13-25/h2,4-5,8-11,15,19H,3,6-7,12-14H2,1H3,(H,24,26)