(diphenylmethyl) (2S,4R)-4-methyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: (diphenylmethyl) (2S,4R)-4-methyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylate Openeye Name: benzhydryl (2S,4R)-4-methyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-methyl-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (2S,4R)-4-methyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-methyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid benzhydryl ester Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1C[C@H](N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27NO4S/c1-21-18-27(29(31)34-28(23-11-4-2-5-12-23)24-13-6-3-7-14-24)30(20-21)35(32,33)26-17-16-22-10-8-9-15-25(22)19-26/h2-17,19,21,27-28H,18,20H2,1H3/t21-,27+/m1/s1