tert-butyl N-[(3R)-1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitro-phenyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitro-phenyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R)-1-[3-(1-naphthylsulfonylmethyl)-4-nitro-phenyl]pyrrolidin-3-yl]carbamate CAS Name: N-[(3R)-1-[3-(1-naphthalenylsulfonylmethyl)-4-nitrophenyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-1-[3-(naphthalen-1-ylsulfonylmethyl)-4-nitrophenyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[(3R)-1-[3-(1-naphthylsulfonylmethyl)-4-nitro-phenyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O6S/c1-26(2,3)35-25(30)27-20-13-14-28(16-20)21-11-12-23(29(31)32)19(15-21)17-36(33,34)24-10-6-8-18-7-4-5-9-22(18)24/h4-12,15,20H,13-14,16-17H2,1-3H3,(H,27,30)/t20-/m1/s1