O1-tert-butyl O3-methyl 2-aminocarbonyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-2-piperidin-3-yl-piperidin-1-ium-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl 2-aminocarbonyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-2-piperidin-3-yl-piperidin-1-ium-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl 2-carbamoyl-1-[3-(2-naphthylsulfonylamino)propanoyl]-2-(3-piperidyl)piperidin-1-ium-1,3-dicarboxylate CAS Name: 2-carbamoyl-1-[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-(3-piperidinyl)piperidin-1-ium-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl 2-carbamoyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]-2-piperidin-3-ylpiperidin-1-ium-1,3-dicarboxylate Traditional Name: 2-carbamoyl-1-[3-(2-naphthylsulfonylamino)propanoyl]-2-(3-piperidyl)piperidin-1-ium-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C31H43N4O8S+ MolecularWeight: 631.76012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC(C1(C2CCCNC2)C(=O)N)C(=O)OC)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC(C1(C2CCCNC2)C(=O)N)C(=O)OC)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H42N4O8S/c1-30(2,3)43-29(39)35(18-8-12-25(27(37)42-4)31(35,28(32)38)23-11-7-16-33-20-23)26(36)15-17-34-44(40,41)24-14-13-21-9-5-6-10-22(21)19-24/h5-6,9-10,13-14,19,23,25,33-34H,7-8,11-12,15-18,20H2,1-4H3,(H-,32,38)/p+1