(3R)-3-acetamido-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-3-phenyl-propionamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O4S/c1-15(26)23-19(16-7-3-2-4-8-16)14-21(27)24-20-13-17(9-10-18(20)22)30(28,29)25-11-5-6-12-25/h2-4,7-10,13,19H,5-6,11-12,14H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1