4-[[2-(tert-butylcarbamoylamino)-3-phenyl-1,6-naphthyridin-7-yl]-ethanoyl-amino]butyl methanesulfonate

Systemtic Name: 4-[[2-(tert-butylcarbamoylamino)-3-phenyl-1,6-naphthyridin-7-yl]-ethanoyl-amino]butyl methanesulfonate Openeye Name: 4-[acetyl-[2-(tert-butylcarbamoylamino)-3-phenyl-1,6-naphthyridin-7-yl]amino]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[acetyl-[2-[[(tert-butylamino)-oxomethyl]amino]-3-phenyl-1,6-naphthyridin-7-yl]amino]butyl ester IUPAC Name: 4-[acetyl-[2-(tert-butylcarbamoylamino)-3-phenyl-1,6-naphthyridin-7-yl]amino]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[acetyl-[2-(tert-butylcarbamoylamino)-3-phenyl-1,6-naphthyridin-7-yl]amino]butyl ester Formula: C26H33N5O5S MolecularWeight: 527.63572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCCOS(=O)(=O)C)C1=CC2=NC(=C(C=C2C=N1)C3=CC=CC=C3)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)N(CCCCOS(=O)(=O)C)C1=CC2=NC(=C(C=C2C=N1)C3=CC=CC=C3)NC(=O)NC(C)(C)C

InChI

InChI=1S/C26H33N5O5S/c1-18(32)31(13-9-10-14-36-37(5,34)35)23-16-22-20(17-27-23)15-21(19-11-7-6-8-12-19)24(28-22)29-25(33)30-26(2,3)4/h6-8,11-12,15-17H,9-10,13-14H2,1-5H3,(H2,28,29,30,33)