5-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxymethyl]quinazoline-2,4-diamine

Systemtic Name: 5-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxymethyl]quinazoline-2,4-diamine Openeye Name: 5-[[1-(4-chlorophenyl)sulfonyl-4-piperidyl]oxymethyl]quinazoline-2,4-diamine CAS Name: 5-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]oxymethyl]quinazoline-2,4-diamine IUPAC Name: 5-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxymethyl]quinazoline-2,4-diamine Traditional Name: [2-amino-5-[[1-(4-chlorophenyl)sulfonyl-4-piperidyl]oxymethyl]quinazolin-4-yl]amine Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2=C3C(=CC=C2)N=C(N=C3N)N)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1OCC2=C3C(=CC=C2)N=C(N=C3N)N)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5O3S/c21-14-4-6-16(7-5-14)30(27,28)26-10-8-15(9-11-26)29-12-13-2-1-3-17-18(13)19(22)25-20(23)24-17/h1-7,15H,8-12H2,(H4,22,23,24,25)