2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(phenylmethyl)quinazolin-4-amine

Systemtic Name: 2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine CAS Name: 2-[1-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-2-[1-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine Traditional Name: benzyl-[2-[1-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]quinazolin-4-yl]amine Formula: C31H37N5O3S MolecularWeight: 559.72218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

InChI

InChI=1S/C31H37N5O3S/c1-3-4-22-39-26-14-16-27(17-15-26)40(37,38)36-20-18-35(19-21-36)24(2)30-33-29-13-9-8-12-28(29)31(34-30)32-23-25-10-6-5-7-11-25/h5-17,24H,3-4,18-23H2,1-2H3,(H,32,33,34)