methyl (2S)-2-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O6S/c1-27-19(24)17(11-14-5-3-2-4-6-14)21-18(23)16-12-15(13-20-16)29(25,26)22-7-9-28-10-8-22/h2-6,12-13,17,20H,7-11H2,1H3,(H,21,23)/t17-/m0/s1