sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate

Systemtic Name: sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate Openeye Name: sodium 2-[[1-(2-naphthylsulfonyl)-4-piperidyl]methylamino]pyrimidine-5-carboxylate CAS Name: sodium 2-[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]methylamino]-5-pyrimidinecarboxylate IUPAC Name: sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylate Traditional Name: sodium 2-[[1-(2-naphthylsulfonyl)-4-piperidyl]methylamino]pyrimidine-5-carboxylate Formula: C21H21N4NaO4S MolecularWeight: 448.47061

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=C(C=N2)C(=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Na+]

Isomeric SMILES

C1CN(CCC1CNC2=NC=C(C=N2)C(=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Na+]

InChI

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