tert-butyl N-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]carbamate

Systemtic Name: tert-butyl N-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidin-2-yl]carbonyl-methyl-amino]carbamate Openeye Name: tert-butyl N-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carbonyl]-methyl-amino]carbamate CAS Name: N-[[[4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]-methylamino]carbamate Traditional Name: N-[methyl-[1-(2-naphthylsulfonyl)-4-(p-anisylthio)prolyl]amino]carbamic acid tert-butyl ester Formula: C29H35N3O6S2 MolecularWeight: 585.7347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)NN(C)C(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H35N3O6S2/c1-29(2,3)38-28(34)30-31(4)27(33)26-17-24(39-19-20-10-13-23(37-5)14-11-20)18-32(26)40(35,36)25-15-12-21-8-6-7-9-22(21)16-25/h6-16,24,26H,17-19H2,1-5H3,(H,30,34)