sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate

Systemtic Name: sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate Openeye Name: sodium 2-[[1-(2-naphthylsulfonyl)-3-piperidyl]methylamino]pyrimidine-5-carboxylate CAS Name: sodium 2-[[1-(2-naphthalenylsulfonyl)-3-piperidinyl]methylamino]-5-pyrimidinecarboxylate IUPAC Name: sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate Traditional Name: sodium 2-[[1-(2-naphthylsulfonyl)-3-piperidyl]methylamino]pyrimidine-5-carboxylate Formula: C21H21N4NaO4S MolecularWeight: 448.47061

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=C(C=N4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC4=NC=C(C=N4)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H22N4O4S.Na/c26-20(27)18-12-23-21(24-13-18)22-11-15-4-3-9-25(14-15)30(28,29)19-8-7-16-5-1-2-6-17(16)10-19;/h1-2,5-8,10,12-13,15H,3-4,9,11,14H2,(H,26,27)(H,22,23,24);/q;+1/p-1