2-aminocarbonyl-2-methyl-4-(naphthalen-1-ylsulfonylamino)-1-oxidanidyl-3-(3-phenylmethoxypropyl)-3-pyrrolidin-2-yl-piperidin-1-ium-1-carboxylic acid

Systemtic Name: 2-aminocarbonyl-2-methyl-4-(naphthalen-1-ylsulfonylamino)-1-oxidanidyl-3-(3-phenylmethoxypropyl)-3-pyrrolidin-2-yl-piperidin-1-ium-1-carboxylic acid Openeye Name: 3-(3-benzyloxypropyl)-2-carbamoyl-2-methyl-4-(1-naphthylsulfonylamino)-1-oxido-3-pyrrolidin-2-yl-piperidin-1-ium-1-carboxylic acid CAS Name: 2-carbamoyl-2-methyl-4-(1-naphthalenylsulfonylamino)-1-oxido-3-(3-phenylmethoxypropyl)-3-(2-pyrrolidinyl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 2-carbamoyl-2-methyl-4-(naphthalen-1-ylsulfonylamino)-1-oxido-3-(3-phenylmethoxypropyl)-3-pyrrolidin-2-ylpiperidin-1-ium-1-carboxylic acid Traditional Name: 3-(3-benzoxypropyl)-2-carbamoyl-2-methyl-4-(1-naphthylsulfonylamino)-1-oxido-3-pyrrolidin-2-yl-piperidin-1-ium-1-carboxylic acid Formula: C32H40N4O7S MolecularWeight: 624.7476

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CC[N+]1(C(=O)O)[O-])NS(=O)(=O)C2=CC=CC3=CC=CC=C32)(CCCOCC4=CC=CC=C4)C5CCCN5)C(=O)N

Isomeric SMILES

CC1(C(C(CC[N+]1(C(=O)O)[O-])NS(=O)(=O)C2=CC=CC3=CC=CC=C32)(CCCOCC4=CC=CC=C4)C5CCCN5)C(=O)N

InChI

InChI=1S/C32H40N4O7S/c1-31(29(33)37)32(27-16-8-19-34-27,18-9-21-43-22-23-10-3-2-4-11-23)28(17-20-36(31,40)30(38)39)35-44(41,42)26-15-7-13-24-12-5-6-14-25(24)26/h2-7,10-15,27-28,34-35H,8-9,16-22H2,1H3,(H2,33,37)(H,38,39)