methyl (2R,3S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-methyl-valeric acid methyl ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H25ClN2O5S/c1-4-12(2)16(18(23)26-3)20-17(22)13-7-8-14(19)15(11-13)27(24,25)21-9-5-6-10-21/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,20,22)/t12-,16+/m0/s1