tert-butyl 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-[(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-3-(naphthionylamino)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C30H38N3O7S+ MolecularWeight: 584.70362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)COC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)COC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C30H38N3O7S/c1-30(2,3)40-29(35)33(20-39-23-15-13-21(14-16-23)28(34)38-6)18-17-22(19-33)31-41(36,37)27-12-8-9-24-25(27)10-7-11-26(24)32(4)5/h7-16,22,31H,17-20H2,1-6H3/q+1