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

Systemtic Name: sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxylate Openeye Name: sodium 2-[[1-(2-naphthylsulfonyl)-4-piperidyl]amino]pyrimidine-5-carboxylate CAS Name: sodium 2-[[1-(2-naphthalenylsulfonyl)-4-piperidinyl]amino]-5-pyrimidinecarboxylate IUPAC Name: sodium 2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxylate Traditional Name: sodium 2-[[1-(2-naphthylsulfonyl)-4-piperidyl]amino]pyrimidine-5-carboxylate Formula: C20H19N4NaO4S MolecularWeight: 434.44403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=C(C=N2)C(=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Na+]

Isomeric SMILES

C1CN(CCC1NC2=NC=C(C=N2)C(=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Na+]

InChI

InChI=1S/C20H20N4O4S.Na/c25-19(26)16-12-21-20(22-13-16)23-17-7-9-24(10-8-17)29(27,28)18-6-5-14-3-1-2-4-15(14)11-18;/h1-6,11-13,17H,7-10H2,(H,25,26)(H,21,22,23);/q;+1/p-1